4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine

C15H24ClN — CID 114334751

IUPAC4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine
SMILESCC(CCl)C(C)NCCCCc1ccccc1
InChIInChI=1S/C15H24ClN/c1-13(12-16)14(2)17-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,13-14,17H,6-7,10-12H2,1-2H3
InChIKeyCLNFNOMFVIZXJN-UHFFFAOYSA-N
MW253.82 g/mol
LogP3.86
Rot. Bonds8

About 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine

4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine (PubChem CID 114334751) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine
PubChem CID114334751
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine
SMILESCC(CCl)C(C)NCCCCc1ccccc1
InChIInChI=1S/C15H24ClN/c1-13(12-16)14(2)17-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,13-14,17H,6-7,10-12H2,1-2H3
InChIKeyCLNFNOMFVIZXJN-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
2-methyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333255
(2S)-2-(5-phenylpentylamino)propanoic acid
CID 70498389
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
CID 65025981
1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine
CID 106353921
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
4-chloro-1-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 114150757
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333254

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine?
The IUPAC name of 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine (CID 114334751) is 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine.
What is the SMILES notation for 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine?
The canonical SMILES for 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine is CC(CCl)C(C)NCCCCc1ccccc1.
What is the InChIKey of 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine?
The InChIKey is CLNFNOMFVIZXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-13(12-16)14(2)17-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,13-14,17H,6-7,10-12H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine?
4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine is sourced from PubChem (CID 114334751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).