[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol

C16H23Cl2NO — CID 79138325

IUPAC[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
SMILESCCC1CCCC(CN)(C(O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C16H23Cl2NO/c1-2-11-5-4-8-16(9-11,10-19)15(20)12-6-3-7-13(17)14(12)18/h3,6-7,11,15,20H,2,4-5,8-10,19H2,1H3
InChIKeyCTFAUABMNMAPLZ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.57
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol

[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol (PubChem CID 79138325) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
PubChem CID79138325
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
SMILESCCC1CCCC(CN)(C(O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C16H23Cl2NO/c1-2-11-5-4-8-16(9-11,10-19)15(20)12-6-3-7-13(17)14(12)18/h3,6-7,11,15,20H,2,4-5,8-10,19H2,1H3
InChIKeyCTFAUABMNMAPLZ-UHFFFAOYSA-N
XLogP4.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol 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-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
CID 79135807
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol
CID 79135103
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
CID 79138448
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-chloro-6-fluorophenyl)methanol
CID 79135009
[1-(aminomethyl)-3-ethylcyclohexyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79126020
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol
CID 79138474
[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83094813
[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79137679
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol
CID 79123387

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol (CID 79138325) is [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol is CCC1CCCC(CN)(C(O)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol?
The InChIKey is CTFAUABMNMAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-11-5-4-8-16(9-11,10-19)15(20)12-6-3-7-13(17)14(12)18/h3,6-7,11,15,20H,2,4-5,8-10,19H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol?
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol has a molecular weight of 316.27 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol is sourced from PubChem (CID 79138325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).