N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine

C20H27N — CID 63478564

IUPACN-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)CNC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27N/c1-3-17(2)16-21-20(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,17,20-21H,3,14-16H2,1-2H3
InChIKeyTYFUKADXZGMIJT-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.48
Rot. Bonds8

About N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine

N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine (PubChem CID 63478564) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
PubChem CID63478564
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)CNC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27N/c1-3-17(2)16-21-20(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,17,20-21H,3,14-16H2,1-2H3
InChIKeyTYFUKADXZGMIJT-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine
CID 65025934
2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine
CID 79008482
(4-methyl-1-phenylhexan-2-yl)hydrazine
CID 105195322
4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine
CID 79009148
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
(2S)-2-[[4-[2-[bis[2-[bis[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methylbutyl]amino]ethyl]amino]ethyl-[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methylbutyl]amino]-2-methylbutyl]amino]-3-phenylpropan-1-ol
CID 102481876

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine?
The IUPAC name of N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine (CID 63478564) is N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine is CCC(C)CNC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine?
The InChIKey is TYFUKADXZGMIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-17(2)16-21-20(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,17,20-21H,3,14-16H2,1-2H3.
What are the key properties of N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine?
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 63478564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).