5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine

C32H35BrF2N4 — CID 158186324

IUPAC5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine
SMILESC=Cc1ccc(NCC(C)(C)c2ccc(F)cc2)nc1.CC(C)(CNc1ccc(Br)cn1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2.C15H16BrFN2/c1-4-13-5-10-16(19-11-13)20-12-17(2,3)14-6-8-15(18)9-7-14;1-15(2,11-3-6-13(17)7-4-11)10-19-14-8-5-12(16)9-18-14/h4-11H,1,12H2,2-3H3,(H,19,20);3-9H,10H2,1-2H3,(H,18,19)
InChIKeyFZEJPTWSPLXYCP-UHFFFAOYSA-N
MW593.56 g/mol
LogP8.63
Rot. Bonds9

About 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine

5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine (PubChem CID 158186324) has the molecular formula C32H35BrF2N4 and a molecular weight of 593.56 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine
PubChem CID158186324
Molecular FormulaC32H35BrF2N4
Molecular Weight593.56 g/mol
Exact Mass592.20
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine
SMILESC=Cc1ccc(NCC(C)(C)c2ccc(F)cc2)nc1.CC(C)(CNc1ccc(Br)cn1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2.C15H16BrFN2/c1-4-13-5-10-16(19-11-13)20-12-17(2,3)14-6-8-15(18)9-7-14;1-15(2,11-3-6-13(17)7-4-11)10-19-14-8-5-12(16)9-18-14/h4-11H,1,12H2,2-3H3,(H,19,20);3-9H,10H2,1-2H3,(H,18,19)
InChIKeyFZEJPTWSPLXYCP-UHFFFAOYSA-N
XLogP8.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.56
LogP ≤ 58.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2,6-difluorophenyl)ethyl)-
CID 3001078
N-(4-fluorophenyl)-4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-amine
CID 10452031
1-{3-[(4-Bromo-benzyl)-pyridin-2-yl-amino]-propyl}-3-[3-(pyridin-2-ylamino)-propyl]-thiourea
CID 10815650
2-{4-[4-(2-Fluorophenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11567620
N-(4-(4-(2-fluorophenyl)piperazin-1-yl)butyl)-5-phenylpyridin-2-amine
CID 11668565
N-(2-fluorophenyl)-4-(2-(2-fluorophenylamino)pyridin-4-yl)pyridin-2-amine
CID 11740117
5-fluoro-N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine
CID 49857285
4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50907429
N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-5'-methyl-2,4'-bipyridine-2',6-diamine
CID 66936966
N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-4-(trifluoromethyl)-2,4'-bipyridine-2',6-diamine
CID 66937000
4-N-[4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 70793962
5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine (CID 158186324) is 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine is C=Cc1ccc(NCC(C)(C)c2ccc(F)cc2)nc1.CC(C)(CNc1ccc(Br)cn1)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine?
The InChIKey is FZEJPTWSPLXYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2.C15H16BrFN2/c1-4-13-5-10-16(19-11-13)20-12-17(2,3)14-6-8-15(18)9-7-14;1-15(2,11-3-6-13(17)7-4-11)10-19-14-8-5-12(16)9-18-14/h4-11H,1,12H2,2-3H3,(H,19,20);3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine?
5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine has a molecular weight of 593.56 g/mol, XLogP of 8.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine;5-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridin-2-amine is sourced from PubChem (CID 158186324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).