1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine

C17H27N — CID 65412191

IUPAC1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cccc(C)c2C)C1
InChIInChI=1S/C17H27N/c1-5-14-9-10-15(11-14)17(18-4)16-8-6-7-12(2)13(16)3/h6-8,14-15,17-18H,5,9-11H2,1-4H3
InChIKeyJHFUUVXTUVRGBD-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.39
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine

1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine (PubChem CID 65412191) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
PubChem CID65412191
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cccc(C)c2C)C1
InChIInChI=1S/C17H27N/c1-5-14-9-10-15(11-14)17(18-4)16-8-6-7-12(2)13(16)3/h6-8,14-15,17-18H,5,9-11H2,1-4H3
InChIKeyJHFUUVXTUVRGBD-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 107102502
1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65411611
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 65411220
1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392706
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
[(3-ethylcyclohexyl)-(2-methylphenyl)methyl]hydrazine
CID 105200437
1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412580
1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 65410433
1-(3-ethylcyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 65415754

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine (CID 65412191) is 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine is CCC1CCC(C(NC)c2cccc(C)c2C)C1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
The InChIKey is JHFUUVXTUVRGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-14-9-10-15(11-14)17(18-4)16-8-6-7-12(2)13(16)3/h6-8,14-15,17-18H,5,9-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine?
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 65412191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).