2-(4-methylphenyl)-4-phenylbutan-2-amine

C17H21N — CID 60797705

IUPAC2-(4-methylphenyl)-4-phenylbutan-2-amine
SMILESCc1ccc(C(C)(N)CCc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-14-8-10-16(11-9-14)17(2,18)13-12-15-6-4-3-5-7-15/h3-11H,12-13,18H2,1-2H3
InChIKeyBSNFKGVWKKXVOO-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.80
Rot. Bonds4

About 2-(4-methylphenyl)-4-phenylbutan-2-amine

2-(4-methylphenyl)-4-phenylbutan-2-amine (PubChem CID 60797705) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenylbutan-2-amine
PubChem CID60797705
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-(4-methylphenyl)-4-phenylbutan-2-amine
SMILESCc1ccc(C(C)(N)CCc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-14-8-10-16(11-9-14)17(2,18)13-12-15-6-4-3-5-7-15/h3-11H,12-13,18H2,1-2H3
InChIKeyBSNFKGVWKKXVOO-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-5-phenylpentan-2-amine
CID 63408465
1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene
CID 59427035
2-(2-methoxyphenyl)-4-phenylbutan-2-amine
CID 54918972
6-methyl-2-(4-methylphenyl)heptan-2-amine
CID 83157399
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
1,1-diamino-3-phenylpropane-1-thiol
CID 139890892
ethyl 2-cyano-2-(4-methylphenyl)-4-phenylbutanoate
CID 138963989
(2S)-2-phenylhexan-2-amine
CID 10889241
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
3-methyl-1-phenylheptan-3-amine
CID 121493813
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenylbutan-2-amine?
The IUPAC name of 2-(4-methylphenyl)-4-phenylbutan-2-amine (CID 60797705) is 2-(4-methylphenyl)-4-phenylbutan-2-amine.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenylbutan-2-amine?
The canonical SMILES for 2-(4-methylphenyl)-4-phenylbutan-2-amine is Cc1ccc(C(C)(N)CCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-phenylbutan-2-amine?
The InChIKey is BSNFKGVWKKXVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-8-10-16(11-9-14)17(2,18)13-12-15-6-4-3-5-7-15/h3-11H,12-13,18H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-phenylbutan-2-amine?
2-(4-methylphenyl)-4-phenylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 60797705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).