N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine

C18H29N — CID 107417014

IUPACN-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCC2CCCC2C)c(C)c1
InChIInChI=1S/C18H29N/c1-12-9-14(3)18(15(4)10-12)16(5)19-11-17-8-6-7-13(17)2/h9-10,13,16-17,19H,6-8,11H2,1-5H3
InChIKeyOLVZDMBOEQIBQT-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.70
Rot. Bonds4

About N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine

N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 107417014) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID107417014
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCC2CCCC2C)c(C)c1
InChIInChI=1S/C18H29N/c1-12-9-14(3)18(15(4)10-12)16(5)19-11-17-8-6-7-13(17)2/h9-10,13,16-17,19H,6-8,11H2,1-5H3
InChIKeyOLVZDMBOEQIBQT-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417364
1-(2-methylcyclopentyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 107417225
N-[(2-methylcyclopentyl)methyl]-1-phenylethanamine
CID 107417351
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019
N-[(2-methylcyclohexyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612549
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
2-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 43097444
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416791
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 107417014) is N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCC2CCCC2C)c(C)c1.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is OLVZDMBOEQIBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12-9-14(3)18(15(4)10-12)16(5)19-11-17-8-6-7-13(17)2/h9-10,13,16-17,19H,6-8,11H2,1-5H3.
What are the key properties of N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 107417014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).