1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine

C18H23BrN2 — CID 104801951

IUPAC1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H23BrN2/c1-4-20-17(12-16-11-10-15(19)13-21-16)18(2,3)14-8-6-5-7-9-14/h5-11,13,17,20H,4,12H2,1-3H3
InChIKeyFBDPEXBSFOYJCQ-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.34
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine

1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine (PubChem CID 104801951) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine
PubChem CID104801951
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H23BrN2/c1-4-20-17(12-16-11-10-15(19)13-21-16)18(2,3)14-8-6-5-7-9-14/h5-11,13,17,20H,4,12H2,1-3H3
InChIKeyFBDPEXBSFOYJCQ-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245333
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873
1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 105036270
N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
CID 154638784
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105334662
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
CID 104802996

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine (CID 104801951) is 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine is CCNC(Cc1ccc(Br)cn1)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine?
The InChIKey is FBDPEXBSFOYJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-20-17(12-16-11-10-15(19)13-21-16)18(2,3)14-8-6-5-7-9-14/h5-11,13,17,20H,4,12H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine?
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine has a molecular weight of 347.30 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine is sourced from PubChem (CID 104801951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).