N-methyl-1,4-diphenylbutan-2-amine

C17H21N — CID 57128066

IUPACN-methyl-1,4-diphenylbutan-2-amine
SMILESCNC(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21N/c1-18-17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3
InChIKeyXGADQIRZZQYXCK-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-1,4-diphenylbutan-2-amine

N-methyl-1,4-diphenylbutan-2-amine (PubChem CID 57128066) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-1,4-diphenylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1,4-diphenylbutan-2-amine
PubChem CID57128066
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-methyl-1,4-diphenylbutan-2-amine
SMILESCNC(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21N/c1-18-17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3
InChIKeyXGADQIRZZQYXCK-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
CID 59877545
CID 59877545
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810
N-methyl-1-phenyldecan-2-amine
CID 63412341
4-(methylamino)-6-phenylhexan-2-one
CID 10420495
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248080
(3S)-3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248079
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4-diphenylbutan-2-amine?
The IUPAC name of N-methyl-1,4-diphenylbutan-2-amine (CID 57128066) is N-methyl-1,4-diphenylbutan-2-amine.
What is the SMILES notation for N-methyl-1,4-diphenylbutan-2-amine?
The canonical SMILES for N-methyl-1,4-diphenylbutan-2-amine is CNC(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-methyl-1,4-diphenylbutan-2-amine?
The InChIKey is XGADQIRZZQYXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-18-17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3.
What are the key properties of N-methyl-1,4-diphenylbutan-2-amine?
N-methyl-1,4-diphenylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4-diphenylbutan-2-amine is sourced from PubChem (CID 57128066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).