N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine

C19H25N — CID 63084673

IUPACN,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
SMILESCNC(Cc1ccccc1C)C(C)(C)c1ccccc1
InChIInChI=1S/C19H25N/c1-15-10-8-9-11-16(15)14-18(20-4)19(2,3)17-12-6-5-7-13-17/h5-13,18,20H,14H2,1-4H3
InChIKeyWQGLMUFOKLPIEQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.10
Rot. Bonds5

About N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine

N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine (PubChem CID 63084673) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
PubChem CID63084673
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
SMILESCNC(Cc1ccccc1C)C(C)(C)c1ccccc1
InChIInChI=1S/C19H25N/c1-15-10-8-9-11-16(15)14-18(20-4)19(2,3)17-12-6-5-7-13-17/h5-13,18,20H,14H2,1-4H3
InChIKeyWQGLMUFOKLPIEQ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 64768760
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 105216447
N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068
N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
CID 104736266
1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine
CID 63086067
1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine
CID 79574847
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
N,2,6-trimethyl-2-phenylhept-6-en-3-amine
CID 114474619
1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 65132723
3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 64769730
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine
CID 64767776

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine?
The IUPAC name of N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine (CID 63084673) is N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine is CNC(Cc1ccccc1C)C(C)(C)c1ccccc1.
What is the InChIKey of N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine?
The InChIKey is WQGLMUFOKLPIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15-10-8-9-11-16(15)14-18(20-4)19(2,3)17-12-6-5-7-13-17/h5-13,18,20H,14H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine?
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine is sourced from PubChem (CID 63084673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).