2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine

C14H22ClN — CID 66436507

IUPAC2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-4-12(10-16-9-11(2)3)13-5-7-14(15)8-6-13/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyWIYGOFKHQGVPDV-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.08
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine

2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 66436507) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
PubChem CID66436507
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-4-12(10-16-9-11(2)3)13-5-7-14(15)8-6-13/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyWIYGOFKHQGVPDV-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
CID 103984798
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902
N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine
CID 79438464
N-[3-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 79432398
2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
CID 82930759
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
3-N-[1-(4-chlorophenyl)ethyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81012189
5-(4-chlorophenyl)heptan-2-amine
CID 83931168
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492609
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
3-(4-chlorophenyl)-4-(ethylamino)butanal
CID 89108234

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine (CID 66436507) is 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine is CCC(CNCC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is WIYGOFKHQGVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-12(10-16-9-11(2)3)13-5-7-14(15)8-6-13/h5-8,11-12,16H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine?
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 66436507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).