2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine

C18H28ClNO — CID 63415780

IUPAC2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)C1CCC(C)CC1
InChIInChI=1S/C18H28ClNO/c1-4-20-17(14-7-5-13(2)6-8-14)12-15-11-16(19)9-10-18(15)21-3/h9-11,13-14,17,20H,4-8,12H2,1-3H3
InChIKeyDODAWFMGYJCBKJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.70
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine

2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine (PubChem CID 63415780) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
PubChem CID63415780
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)C1CCC(C)CC1
InChIInChI=1S/C18H28ClNO/c1-4-20-17(14-7-5-13(2)6-8-14)12-15-11-16(19)9-10-18(15)21-3/h9-11,13-14,17,20H,4-8,12H2,1-3H3
InChIKeyDODAWFMGYJCBKJ-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[2-(5-chloro-2-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65421949
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105137424
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65423175
3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62916009
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 55185869
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine (CID 63415780) is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine is CCNC(Cc1cc(Cl)ccc1OC)C1CCC(C)CC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine?
The InChIKey is DODAWFMGYJCBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-4-20-17(14-7-5-13(2)6-8-14)12-15-11-16(19)9-10-18(15)21-3/h9-11,13-14,17,20H,4-8,12H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.70, 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)-N-ethyl-1-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 63415780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).