2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine

C20H35N — CID 63512435

IUPAC2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C20H35N/c1-7-11-20(12-8-2,15-21-14-16(3)4)19-10-9-17(5)18(6)13-19/h9-10,13,16,21H,7-8,11-12,14-15H2,1-6H3
InChIKeyDENSJTBGWQWKFV-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.39
Rot. Bonds9

About 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine

2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine (PubChem CID 63512435) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
PubChem CID63512435
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C20H35N/c1-7-11-20(12-8-2,15-21-14-16(3)4)19-10-9-17(5)18(6)13-19/h9-10,13,16,21H,7-8,11-12,14-15H2,1-6H3
InChIKeyDENSJTBGWQWKFV-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 63511272
2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63510738
2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63516669
2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63515522
2-(3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 63510909
N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
CID 63511266
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-(cyclohexen-1-yl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 116662398
2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine
CID 112567938
N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine
CID 83107503
2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 61054133
2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507772

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine (CID 63512435) is 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine is CCCC(CCC)(CNCC(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
The InChIKey is DENSJTBGWQWKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-11-20(12-8-2,15-21-14-16(3)4)19-10-9-17(5)18(6)13-19/h9-10,13,16,21H,7-8,11-12,14-15H2,1-6H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine?
2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine is sourced from PubChem (CID 63512435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).