1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine

C15H17BrN2 — CID 170888745

IUPAC1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnccc1-c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-2-14(17)9-12-10-18-7-6-15(12)11-4-3-5-13(16)8-11/h3-8,10,14H,2,9,17H2,1H3
InChIKeyQWNODFUTBAYHRJ-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.79
Rot. Bonds4

About 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine

1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine (PubChem CID 170888745) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine
PubChem CID170888745
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnccc1-c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-2-14(17)9-12-10-18-7-6-15(12)11-4-3-5-13(16)8-11/h3-8,10,14H,2,9,17H2,1H3
InChIKeyQWNODFUTBAYHRJ-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)-3-ethylpyridine
CID 118884339
3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol
CID 170887627
3-[4-(3-bromophenyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880494
(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid
CID 165346016
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
2-(2-aminobutyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 63786995
4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole
CID 91360116
3-(bromomethyl)-4-(3-methoxyphenyl)pyridine
CID 115824632
2-(2-aminobutyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440515
1-(4-bromo-2-pyrazol-1-ylphenyl)butan-2-amine
CID 63815700
(E)-3-[4-(3-bromophenyl)-3-pyridinyl]-2-methylprop-2-enoic acid
CID 170873379
1-[4-(3-bromophenyl)sulfanyl-2-methylphenyl]butan-2-amine
CID 63818846

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine (CID 170888745) is 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine is CCC(N)Cc1cnccc1-c1cccc(Br)c1.
What is the InChIKey of 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine?
The InChIKey is QWNODFUTBAYHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-2-14(17)9-12-10-18-7-6-15(12)11-4-3-5-13(16)8-11/h3-8,10,14H,2,9,17H2,1H3.
What are the key properties of 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine?
1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine has a molecular weight of 305.22 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 170888745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).