N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine

C19H25N — CID 162416433

IUPACN-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
SMILESCC(CCc1ccccc1)CN(C)Cc1ccccc1
InChIInChI=1S/C19H25N/c1-17(13-14-18-9-5-3-6-10-18)15-20(2)16-19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKeySXUTUBSECCCTCI-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.39
Rot. Bonds7

About N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine

N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine (PubChem CID 162416433) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
PubChem CID162416433
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
SMILESCC(CCc1ccccc1)CN(C)Cc1ccccc1
InChIInChI=1S/C19H25N/c1-17(13-14-18-9-5-3-6-10-18)15-20(2)16-19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKeySXUTUBSECCCTCI-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
CID 176893860
CID 176893860
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
ethene;3-methylbutylbenzene
CID 145421013
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
CID 173427481
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine?
The IUPAC name of N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine (CID 162416433) is N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine.
What is the SMILES notation for N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine?
The canonical SMILES for N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine is CC(CCc1ccccc1)CN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine?
The InChIKey is SXUTUBSECCCTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-17(13-14-18-9-5-3-6-10-18)15-20(2)16-19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3.
What are the key properties of N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine?
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine is sourced from PubChem (CID 162416433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).