3-methyl-1,3-diphenylbutan-2-amine

C17H21N — CID 63086399

IUPAC3-methyl-1,3-diphenylbutan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1ccccc1
InChIInChI=1S/C17H21N/c1-17(2,15-11-7-4-8-12-15)16(18)13-14-9-5-3-6-10-14/h3-12,16H,13,18H2,1-2H3
InChIKeyOUGHGFBAWPFYPA-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.53
Rot. Bonds4

About 3-methyl-1,3-diphenylbutan-2-amine

3-methyl-1,3-diphenylbutan-2-amine (PubChem CID 63086399) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-1,3-diphenylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1,3-diphenylbutan-2-amine
PubChem CID63086399
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-methyl-1,3-diphenylbutan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1ccccc1
InChIInChI=1S/C17H21N/c1-17(2,15-11-7-4-8-12-15)16(18)13-14-9-5-3-6-10-14/h3-12,16H,13,18H2,1-2H3
InChIKeyOUGHGFBAWPFYPA-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63420080
(3-methyl-1,3-diphenylbutan-2-yl)hydrazine
CID 105216261
3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine
CID 63085723
2-methyl-2-phenylhex-5-en-3-amine
CID 63085538
3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79824374
4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
CID 64768756
2-methyl-2-phenylnonan-3-amine
CID 63420123
1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63086064
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
(2R)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 22084869
(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 101072833
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-diphenylbutan-2-amine?
The IUPAC name of 3-methyl-1,3-diphenylbutan-2-amine (CID 63086399) is 3-methyl-1,3-diphenylbutan-2-amine.
What is the SMILES notation for 3-methyl-1,3-diphenylbutan-2-amine?
The canonical SMILES for 3-methyl-1,3-diphenylbutan-2-amine is CC(C)(c1ccccc1)C(N)Cc1ccccc1.
What is the InChIKey of 3-methyl-1,3-diphenylbutan-2-amine?
The InChIKey is OUGHGFBAWPFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-17(2,15-11-7-4-8-12-15)16(18)13-14-9-5-3-6-10-14/h3-12,16H,13,18H2,1-2H3.
What are the key properties of 3-methyl-1,3-diphenylbutan-2-amine?
3-methyl-1,3-diphenylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-diphenylbutan-2-amine is sourced from PubChem (CID 63086399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).