1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

C18H30N2O — CID 79061084

IUPAC1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCOc1ccccc1C(N)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H30N2O/c1-5-21-16-9-7-6-8-15(16)17(19)18(20(3)4)12-10-14(2)11-13-18/h6-9,14,17H,5,10-13,19H2,1-4H3
InChIKeyWSHQDYDSGGUWKH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.60
Rot. Bonds5

About 1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79061084) 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,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79061084
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCOc1ccccc1C(N)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H30N2O/c1-5-21-16-9-7-6-8-15(16)17(19)18(20(3)4)12-10-14(2)11-13-18/h6-9,14,17H,5,10-13,19H2,1-4H3
InChIKeyWSHQDYDSGGUWKH-UHFFFAOYSA-N
XLogP3.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-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-diethylcyclopentan-1-amine
CID 79059165
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
[1-(dimethylamino)cyclopentyl]-(2-ethoxyphenyl)methanol
CID 79067542
(2-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 62801891
(2-ethoxyphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079875
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-ethoxybenzamide
CID 63765711
[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethoxyphenyl)methanol
CID 79061631
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43568904
[(2-ethoxyphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210206

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79061084) is 1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine is CCOc1ccccc1C(N)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is WSHQDYDSGGUWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-21-16-9-7-6-8-15(16)17(19)18(20(3)4)12-10-14(2)11-13-18/h6-9,14,17H,5,10-13,19H2,1-4H3.
What are the key properties of 1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[amino-(2-ethoxyphenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.60, 5 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,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79061084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).