N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine

C18H30N2O — CID 79577305

IUPACN-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN(C)Cc1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-4-19-18-10-6-8-16(18)11-12-20(2)14-15-7-5-9-17(13-15)21-3/h5,7,9,13,16,18-19H,4,6,8,10-12,14H2,1-3H3
InChIKeyXVWLXEJVIWOTJB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds8

About N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine

N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine (PubChem CID 79577305) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
PubChem CID79577305
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN(C)Cc1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-4-19-18-10-6-8-16(18)11-12-20(2)14-15-7-5-9-17(13-15)21-3/h5,7,9,13,16,18-19H,4,6,8,10-12,14H2,1-3H3
InChIKeyXVWLXEJVIWOTJB-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine
CID 79577299
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid
CID 125471913
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843512
N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558489
N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine
CID 79850712
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine (CID 79577305) is N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine is CCNC1CCCC1CCN(C)Cc1cccc(OC)c1.
What is the InChIKey of N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine?
The InChIKey is XVWLXEJVIWOTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-18-10-6-8-16(18)11-12-20(2)14-15-7-5-9-17(13-15)21-3/h5,7,9,13,16,18-19H,4,6,8,10-12,14H2,1-3H3.
What are the key properties of N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine?
N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79577305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).