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

C17H21Cl2N — CID 17211329

IUPACN-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
SMILESCC(CCc1ccccc1)NCc1ccccc1Cl.Cl
InChIInChI=1S/C17H20ClN.ClH/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;1H
InChIKeyRMKPXDNIPVLFHX-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.87
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride (PubChem CID 17211329) has the molecular formula C17H21Cl2N and a molecular weight of 310.27 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
PubChem CID17211329
Molecular FormulaC17H21Cl2N
Molecular Weight310.27 g/mol
Exact Mass309.11
IUPAC NameN-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
SMILESCC(CCc1ccccc1)NCc1ccccc1Cl.Cl
InChIInChI=1S/C17H20ClN.ClH/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;1H
InChIKeyRMKPXDNIPVLFHX-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211228
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211113
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
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
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride (CID 17211329) is N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride is CC(CCc1ccccc1)NCc1ccccc1Cl.Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride?
The InChIKey is RMKPXDNIPVLFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN.ClH/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;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride?
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride has a molecular weight of 310.27 g/mol, XLogP of 4.87, 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;hydrochloride is sourced from PubChem (CID 17211329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).