2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine

C16H19ClN2 — CID 79014062

IUPAC2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ccncc1Cl
InChIInChI=1S/C16H19ClN2/c1-2-16(18,10-13-6-4-3-5-7-13)11-14-8-9-19-12-15(14)17/h3-9,12H,2,10-11,18H2,1H3
InChIKeyNCRLBZQUOPAMST-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.63
Rot. Bonds5

About 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine

2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine (PubChem CID 79014062) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine
PubChem CID79014062
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ccncc1Cl
InChIInChI=1S/C16H19ClN2/c1-2-16(18,10-13-6-4-3-5-7-13)11-14-8-9-19-12-15(14)17/h3-9,12H,2,10-11,18H2,1H3
InChIKeyNCRLBZQUOPAMST-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-3-chloropyridine
CID 79448298
1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine
CID 114833502
3-benzylhexan-3-amine
CID 79007389
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306332
2-[(3-chloro-4-pyridinyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566520
3-(3-chloro-4-pyridinyl)-2,2-dimethylpropanal
CID 130705947
2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine
CID 79007492
2-[(3-chloro-4-pyridinyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450406
2-benzyl-1-(3,4-difluorophenyl)butan-2-amine
CID 82920189
1-(3-chloro-4-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872585
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine?
The IUPAC name of 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine (CID 79014062) is 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine.
What is the SMILES notation for 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine?
The canonical SMILES for 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine is CCC(N)(Cc1ccccc1)Cc1ccncc1Cl.
What is the InChIKey of 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine?
The InChIKey is NCRLBZQUOPAMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-16(18,10-13-6-4-3-5-7-13)11-14-8-9-19-12-15(14)17/h3-9,12H,2,10-11,18H2,1H3.
What are the key properties of 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine?
2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine has a molecular weight of 274.80 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine is sourced from PubChem (CID 79014062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).