N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine

C17H20ClN — CID 63477151

IUPACN-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine
SMILESCC(CCNCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-14(16-7-3-2-4-8-16)10-11-19-13-15-6-5-9-17(18)12-15/h2-9,12,14,19H,10-11,13H2,1H3
InChIKeyRZXSBTMQTNYRBQ-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.62
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine

N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine (PubChem CID 63477151) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine
PubChem CID63477151
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine
SMILESCC(CCNCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClN/c1-14(16-7-3-2-4-8-16)10-11-19-13-15-6-5-9-17(18)12-15/h2-9,12,14,19H,10-11,13H2,1H3
InChIKeyRZXSBTMQTNYRBQ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
1-chloro-3-(3-phenylbutyl)benzene
CID 173298175
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 65021628
N-[1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63420298
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81366439
3-(3-chlorophenyl)-N-propylbutan-1-amine
CID 81019397
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 55152744
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
CID 102880849
N-[(2-chloro-4-fluorophenyl)methyl]-3-phenylbutan-1-amine
CID 63490378
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine (CID 63477151) is N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine is CC(CCNCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine?
The InChIKey is RZXSBTMQTNYRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-14(16-7-3-2-4-8-16)10-11-19-13-15-6-5-9-17(18)12-15/h2-9,12,14,19H,10-11,13H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine?
N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine is sourced from PubChem (CID 63477151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).