2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine

C18H28ClNO — CID 65423175

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(N)Cc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H28ClNO/c1-3-4-13-5-7-14(8-6-13)17(20)12-15-11-16(19)9-10-18(15)21-2/h9-11,13-14,17H,3-8,12,20H2,1-2H3
InChIKeyAPHMBQGMBLSOFQ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.82
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine

2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine (PubChem CID 65423175) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine
PubChem CID65423175
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(N)Cc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H28ClNO/c1-3-4-13-5-7-14(8-6-13)17(20)12-15-11-16(19)9-10-18(15)21-2/h9-11,13-14,17H,3-8,12,20H2,1-2H3
InChIKeyAPHMBQGMBLSOFQ-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 63415780
2-(2-fluorophenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425112
1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105089308
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65423953
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
N-[2-(5-chloro-2-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105137354

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine (CID 65423175) is 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine is CCCC1CCC(C(N)Cc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine?
The InChIKey is APHMBQGMBLSOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-4-13-5-7-14(8-6-13)17(20)12-15-11-16(19)9-10-18(15)21-2/h9-11,13-14,17H,3-8,12,20H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine is sourced from PubChem (CID 65423175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).