N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine

C16H25NO2 — CID 61365376

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
SMILESCCOc1cc(CNC2(C)CCCC2)ccc1OC
InChIInChI=1S/C16H25NO2/c1-4-19-15-11-13(7-8-14(15)18-3)12-17-16(2)9-5-6-10-16/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyNEDHOBPSMAGSOZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.52
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine (PubChem CID 61365376) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
PubChem CID61365376
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
SMILESCCOc1cc(CNC2(C)CCCC2)ccc1OC
InChIInChI=1S/C16H25NO2/c1-4-19-15-11-13(7-8-14(15)18-3)12-17-16(2)9-5-6-10-16/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyNEDHOBPSMAGSOZ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 62519917
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopentan-1-amine
CID 61365354
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635143
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635166
N'-hydroxy-2-methoxy-5-[[(1-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 77065974
(3S,5R)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 40722157
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
1-(3-ethoxy-4-methoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267051
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365160
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 100600748
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine (CID 61365376) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine is CCOc1cc(CNC2(C)CCCC2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine?
The InChIKey is NEDHOBPSMAGSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-15-11-13(7-8-14(15)18-3)12-17-16(2)9-5-6-10-16/h7-8,11,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 61365376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).