N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine

C18H29N — CID 65415003

IUPACN-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)C1CCC(C)C1
InChIInChI=1S/C18H29N/c1-5-10-19-18(16-8-6-14(3)12-16)17-9-7-13(2)11-15(17)4/h7,9,11,14,16,18-19H,5-6,8,10,12H2,1-4H3
InChIKeyVAYJPCHUSBHVGZ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.78
Rot. Bonds5

About N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine

N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 65415003) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
PubChem CID65415003
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)C1CCC(C)C1
InChIInChI=1S/C18H29N/c1-5-10-19-18(16-8-6-14(3)12-16)17-9-7-13(2)11-15(17)4/h7,9,11,14,16,18-19H,5-6,8,10,12H2,1-4H3
InChIKeyVAYJPCHUSBHVGZ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
N-[(2-methoxy-3,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 103433620
N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 65410252
N-[2-bicyclo[2.2.1]heptanyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63502670
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
N-[(3,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64740441
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[(2-ethoxy-5-methylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 62303505

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine (CID 65415003) is N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1C)C1CCC(C)C1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is VAYJPCHUSBHVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-10-19-18(16-8-6-14(3)12-16)17-9-7-13(2)11-15(17)4/h7,9,11,14,16,18-19H,5-6,8,10,12H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 65415003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).