2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine

C18H28ClNO — CID 116764102

IUPAC2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1(OCC)CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-20-17(14-15-9-8-10-16(19)13-15)18(21-4-2)11-6-5-7-12-18/h8-10,13,17,20H,3-7,11-12,14H2,1-2H3
InChIKeyXZMUAEHQFSWXOM-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.60
Rot. Bonds7

About 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine

2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine (PubChem CID 116764102) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
PubChem CID116764102
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1(OCC)CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-20-17(14-15-9-8-10-16(19)13-15)18(21-4-2)11-6-5-7-12-18/h8-10,13,17,20H,3-7,11-12,14H2,1-2H3
InChIKeyXZMUAEHQFSWXOM-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
[2-(3-chlorophenyl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
CID 105275871
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276
N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 116764064
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128
1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine (CID 116764102) is 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1)C1(OCC)CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine?
The InChIKey is XZMUAEHQFSWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-20-17(14-15-9-8-10-16(19)13-15)18(21-4-2)11-6-5-7-12-18/h8-10,13,17,20H,3-7,11-12,14H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine?
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 116764102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).