2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine

C18H28ClNO — CID 116766631

IUPAC2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccccc1Cl)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H28ClNO/c1-4-20-17(13-15-7-5-6-8-16(15)19)18(21-3)11-9-14(2)10-12-18/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyXKAUDKMSUPRUQZ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.46
Rot. Bonds6

About 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine

2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine (PubChem CID 116766631) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
PubChem CID116766631
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccccc1Cl)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H28ClNO/c1-4-20-17(13-15-7-5-6-8-16(15)19)18(21-3)11-9-14(2)10-12-18/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyXKAUDKMSUPRUQZ-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766591
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
[2-(2,4-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277164
2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714652
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766528
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277013
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764901
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763206
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116766642
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine (CID 116766631) is 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine is CCNC(Cc1ccccc1Cl)C1(OC)CCC(C)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The InChIKey is XKAUDKMSUPRUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-4-20-17(13-15-7-5-6-8-16(15)19)18(21-3)11-9-14(2)10-12-18/h5-8,14,17,20H,4,9-13H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116766631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).