4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine

C15H17BrN2 — CID 113456145

IUPAC4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine
SMILESNCC(CCc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C15H17BrN2/c16-15-8-12(10-18-11-15)6-7-14(9-17)13-4-2-1-3-5-13/h1-5,8,10-11,14H,6-7,9,17H2
InChIKeyHNFUXCFIQJGKGW-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.52
Rot. Bonds5

About 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine

4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine (PubChem CID 113456145) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine
PubChem CID113456145
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine
SMILESNCC(CCc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C15H17BrN2/c16-15-8-12(10-18-11-15)6-7-14(9-17)13-4-2-1-3-5-13/h1-5,8,10-11,14H,6-7,9,17H2
InChIKeyHNFUXCFIQJGKGW-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol
CID 154725709
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
3-(5-methyl-3-pyridinyl)-2-phenylpropan-1-amine
CID 113297407
1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297
2-phenylbutane-1,4-diamine
CID 16770348
2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione
CID 160637692
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine (CID 113456145) is 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine is NCC(CCc1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine?
The InChIKey is HNFUXCFIQJGKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c16-15-8-12(10-18-11-15)6-7-14(9-17)13-4-2-1-3-5-13/h1-5,8,10-11,14H,6-7,9,17H2.
What are the key properties of 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine?
4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine has a molecular weight of 305.22 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 113456145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).