N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine

C17H20ClN — CID 17211330

IUPACN-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN/c1-14(11-12-15-7-3-2-4-8-15)19-13-16-9-5-6-10-17(16)18/h2-10,14,19H,11-13H2,1H3
InChIKeyFRZLBSQMDWNQMS-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.45
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine

N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine (PubChem CID 17211330) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
PubChem CID17211330
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN/c1-14(11-12-15-7-3-2-4-8-15)19-13-16-9-5-6-10-17(16)18/h2-10,14,19H,11-13H2,1H3
InChIKeyFRZLBSQMDWNQMS-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211228
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211113
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
1-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid
CID 20957790
(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124823338
N-[(3-chloro-4-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63476474
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
CID 43746669
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 51990859

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine (CID 17211330) is N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is FRZLBSQMDWNQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-14(11-12-15-7-3-2-4-8-15)19-13-16-9-5-6-10-17(16)18/h2-10,14,19H,11-13H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine?
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine has a molecular weight of 273.81 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 17211330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).