3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine

C18H31N — CID 55187491

IUPAC3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(Cc1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C18H31N/c1-7-10-19-16(6)18(13(2)3)12-17-9-8-14(4)15(5)11-17/h8-9,11,13,16,18-19H,7,10,12H2,1-6H3
InChIKeyCSDHECSUNQLVRU-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.51
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine

3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine (PubChem CID 55187491) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
PubChem CID55187491
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(Cc1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C18H31N/c1-7-10-19-16(6)18(13(2)3)12-17-9-8-14(4)15(5)11-17/h8-9,11,13,16,18-19H,7,10,12H2,1-6H3
InChIKeyCSDHECSUNQLVRU-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
CID 82923315
1-(3,4-dimethylphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 104519960
3-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 106865003
1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105109535
(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 93026402
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527278
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
CID 83160928

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine (CID 55187491) is 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine is CCCNC(C)C(Cc1ccc(C)c(C)c1)C(C)C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine?
The InChIKey is CSDHECSUNQLVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-10-19-16(6)18(13(2)3)12-17-9-8-14(4)15(5)11-17/h8-9,11,13,16,18-19H,7,10,12H2,1-6H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine?
3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 55187491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).