N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine

C17H27N — CID 81034661

IUPACN-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
SMILESCc1ccc(C2CCCC2CNC(C)C)c(C)c1
InChIInChI=1S/C17H27N/c1-12(2)18-11-15-6-5-7-17(15)16-9-8-13(3)10-14(16)4/h8-10,12,15,17-18H,5-7,11H2,1-4H3
InChIKeyABMJUYGCCMZXCG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.19
Rot. Bonds4

About N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine

N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81034661) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
PubChem CID81034661
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
SMILESCc1ccc(C2CCCC2CNC(C)C)c(C)c1
InChIInChI=1S/C17H27N/c1-12(2)18-11-15-6-5-7-17(15)16-9-8-13(3)10-14(16)4/h8-10,12,15,17-18H,5-7,11H2,1-4H3
InChIKeyABMJUYGCCMZXCG-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017220
N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine
CID 107514752
N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
CID 102756432
N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81018045
[2-(2,4-dimethylphenyl)cycloheptyl]methanamine
CID 81011171
N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 82827778
N-[[2-(2,5-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024095
N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017316
N-[[2-(4-fluoro-2-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81022840
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099
N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032761
N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025808

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine (CID 81034661) is N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine is Cc1ccc(C2CCCC2CNC(C)C)c(C)c1.
What is the InChIKey of N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is ABMJUYGCCMZXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)18-11-15-6-5-7-17(15)16-9-8-13(3)10-14(16)4/h8-10,12,15,17-18H,5-7,11H2,1-4H3.
What are the key properties of N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine?
N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81034661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).