N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine

C16H25NO2 — CID 115691314

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
SMILESCCC1CCCC1NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-4-13-6-5-7-14(13)17-11-12-8-9-15(18-2)16(10-12)19-3/h8-10,13-14,17H,4-7,11H2,1-3H3
InChIKeyQDFJDJFUSZSLQF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine

N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine (PubChem CID 115691314) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
PubChem CID115691314
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
SMILESCCC1CCCC1NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-4-13-6-5-7-14(13)17-11-12-8-9-15(18-2)16(10-12)19-3/h8-10,13-14,17H,4-7,11H2,1-3H3
InChIKeyQDFJDJFUSZSLQF-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclopentan-1-amine
CID 113260129
[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700320
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine
CID 115711130
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774950
N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 79979070
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
CID 115691377
N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
CID 113483426

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine (CID 115691314) is N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine is CCC1CCCC1NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine?
The InChIKey is QDFJDJFUSZSLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-13-6-5-7-14(13)17-11-12-8-9-15(18-2)16(10-12)19-3/h8-10,13-14,17H,4-7,11H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine is sourced from PubChem (CID 115691314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).