N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine

C18H29NO2 — CID 107177620

IUPACN-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)c(OC)cc1C)C1CCCC1C
InChIInChI=1S/C18H29NO2/c1-6-19-18(14-9-7-8-12(14)2)15-11-17(21-5)16(20-4)10-13(15)3/h10-12,14,18-19H,6-9H2,1-5H3
InChIKeyRUPHHGBXNYJWLJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.10
Rot. Bonds6

About N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine

N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107177620) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107177620
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)c(OC)cc1C)C1CCCC1C
InChIInChI=1S/C18H29NO2/c1-6-19-18(14-9-7-8-12(14)2)15-11-17(21-5)16(20-4)10-13(15)3/h10-12,14,18-19H,6-9H2,1-5H3
InChIKeyRUPHHGBXNYJWLJ-UHFFFAOYSA-N
XLogP4.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191388
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105032916
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 107178293
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107178004
N-[(4-chloro-2,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177855
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191194
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107189939
N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43493659
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107177620) is N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1cc(OC)c(OC)cc1C)C1CCCC1C.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is RUPHHGBXNYJWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-19-18(14-9-7-8-12(14)2)15-11-17(21-5)16(20-4)10-13(15)3/h10-12,14,18-19H,6-9H2,1-5H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107177620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).