N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine

C17H27NO2 — CID 107412254

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCCOc1ccc(CNCC2CCC(C)C2)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-20-16-8-7-15(10-17(16)19-3)12-18-11-14-6-5-13(2)9-14/h7-8,10,13-14,18H,4-6,9,11-12H2,1-3H3
InChIKeyOWTQWGMYSUWUIN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107412254) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107412254
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCCOc1ccc(CNCC2CCC(C)C2)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-20-16-8-7-15(10-17(16)19-3)12-18-11-14-6-5-13(2)9-14/h7-8,10,13-14,18H,4-6,9,11-12H2,1-3H3
InChIKeyOWTQWGMYSUWUIN-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
1-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60733291
N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 47628113
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119126987
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994874
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628263
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855833
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine (CID 107412254) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine is CCOc1ccc(CNCC2CCC(C)C2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is OWTQWGMYSUWUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-20-16-8-7-15(10-17(16)19-3)12-18-11-14-6-5-13(2)9-14/h7-8,10,13-14,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107412254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).