1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine

C18H30N2O — CID 79059165

IUPAC1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCOc1ccccc1C(N)C1(N(CC)CC)CCCC1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)18(13-9-10-14-18)17(19)15-11-7-8-12-16(15)21-6-3/h7-8,11-12,17H,4-6,9-10,13-14,19H2,1-3H3
InChIKeyUYLAWYSLXQCVQO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.74
Rot. Bonds7

About 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine

1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 79059165) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
PubChem CID79059165
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCOc1ccccc1C(N)C1(N(CC)CC)CCCC1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)18(13-9-10-14-18)17(19)15-11-7-8-12-16(15)21-6-3/h7-8,11-12,17H,4-6,9-10,13-14,19H2,1-3H3
InChIKeyUYLAWYSLXQCVQO-UHFFFAOYSA-N
XLogP3.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061084
[1-(dimethylamino)cyclopentyl]-(2-ethoxyphenyl)methanol
CID 79067542
(2-ethoxyphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079875
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059138
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine (CID 79059165) is 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine is CCOc1ccccc1C(N)C1(N(CC)CC)CCCC1.
What is the InChIKey of 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is UYLAWYSLXQCVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20(5-2)18(13-9-10-14-18)17(19)15-11-7-8-12-16(15)21-6-3/h7-8,11-12,17H,4-6,9-10,13-14,19H2,1-3H3.
What are the key properties of 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine?
1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 79059165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).