N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine

C17H25N — CID 81034688

IUPACN-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESCc1cccc(C2CCCC2CNC2CC2)c1C
InChIInChI=1S/C17H25N/c1-12-5-3-7-16(13(12)2)17-8-4-6-14(17)11-18-15-9-10-15/h3,5,7,14-15,17-18H,4,6,8-11H2,1-2H3
InChIKeyQCELGJRIDQRPMI-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.94
Rot. Bonds4

About N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 81034688) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID81034688
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESCc1cccc(C2CCCC2CNC2CC2)c1C
InChIInChI=1S/C17H25N/c1-12-5-3-7-16(13(12)2)17-8-4-6-14(17)11-18-15-9-10-15/h3,5,7,14-15,17-18H,4,6,8-11H2,1-2H3
InChIKeyQCELGJRIDQRPMI-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026613
N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032761
N-[[2-(2,3-dimethylphenyl)cycloheptyl]methyl]propan-1-amine
CID 81025199
trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol
CID 91657986
N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
CID 114747628
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
CID 63510315
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
CID 106763835
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine (CID 81034688) is N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine is Cc1cccc(C2CCCC2CNC2CC2)c1C.
What is the InChIKey of N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is QCELGJRIDQRPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-5-3-7-16(13(12)2)17-8-4-6-14(17)11-18-15-9-10-15/h3,5,7,14-15,17-18H,4,6,8-11H2,1-2H3.
What are the key properties of N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 243.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81034688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).