2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride

C24H28ClN — CID 173157536

IUPAC2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
SMILESCC(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C24H27N.ClH/c1-20(17-21-11-5-2-6-12-21)24(25,18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23;/h2-16,20H,17-19,25H2,1H3;1H
InChIKeyAOBSWDGHMJFSBD-UHFFFAOYSA-N
MW365.95 g/mol
LogP5.47
Rot. Bonds7

About 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride

2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride (PubChem CID 173157536) has the molecular formula C24H28ClN and a molecular weight of 365.95 g/mol. Its IUPAC name is 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
PubChem CID173157536
Molecular FormulaC24H28ClN
Molecular Weight365.95 g/mol
Exact Mass365.19
IUPAC Name2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
SMILESCC(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C24H27N.ClH/c1-20(17-21-11-5-2-6-12-21)24(25,18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23;/h2-16,20H,17-19,25H2,1H3;1H
InChIKeyAOBSWDGHMJFSBD-UHFFFAOYSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.95
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156
2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide
CID 173157634
2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
CID 173158521
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
N-deuterio-1-phenylpropan-2-amine
CID 54017748
(2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-phenylbutan-2-ol
CID 67674348
2-amino-1-phenylbutane-2,3-diol
CID 175388454
azane;1-phenylpropan-2-amine
CID 67350534
2-(1-phenylpropan-2-ylsulfanyl)propylbenzene
CID 54020094
3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
CID 43829549
1-N-methyl-4-phenylbutane-1,3,3-triamine
CID 141382492

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride?
The IUPAC name of 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride (CID 173157536) is 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride.
What is the SMILES notation for 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride?
The canonical SMILES for 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride is CC(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride?
The InChIKey is AOBSWDGHMJFSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N.ClH/c1-20(17-21-11-5-2-6-12-21)24(25,18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23;/h2-16,20H,17-19,25H2,1H3;1H.
What are the key properties of 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride?
2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride is sourced from PubChem (CID 173157536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).