N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine

C23H25FN2 — CID 71661923

IUPACN-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC(c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H25FN2/c1-16-6-5-15-25-22(16)26-21(18-9-13-20(24)14-10-18)17-7-11-19(12-8-17)23(2,3)4/h5-15,21H,1-4H3,(H,25,26)
InChIKeyRWZARBHVBBGUKJ-UHFFFAOYSA-N
MW348.47 g/mol
LogP6.03
Rot. Bonds4

About N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine

N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine (PubChem CID 71661923) has the molecular formula C23H25FN2 and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine
PubChem CID71661923
Molecular FormulaC23H25FN2
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC NameN-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC(c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H25FN2/c1-16-6-5-15-25-22(16)26-21(18-9-13-20(24)14-10-18)17-7-11-19(12-8-17)23(2,3)4/h5-15,21H,1-4H3,(H,25,26)
InChIKeyRWZARBHVBBGUKJ-UHFFFAOYSA-N
XLogP6.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
CID 71661925
N-[(4-fluorophenyl)-phenylmethyl]-3-phenylpyridin-2-amine
CID 57412435
1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone
CID 71528165
1-(4-tert-butylphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105140419
N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62548712
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100647125
[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203825
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43484460
2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 65314837
4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline
CID 132513528
N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 62548191
N-benzhydryl-3-(trifluoromethyl)pyridin-2-amine
CID 71528051

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine (CID 71661923) is N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine is Cc1cccnc1NC(c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine?
The InChIKey is RWZARBHVBBGUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2/c1-16-6-5-15-25-22(16)26-21(18-9-13-20(24)14-10-18)17-7-11-19(12-8-17)23(2,3)4/h5-15,21H,1-4H3,(H,25,26).
What are the key properties of N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine?
N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine has a molecular weight of 348.47 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 71661923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).