2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine

C18H28ClNO — CID 114342165

IUPAC2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
SMILESCCNCC(OC1CCC(C)(C)CC1)c1ccccc1Cl
InChIInChI=1S/C18H28ClNO/c1-4-20-13-17(15-7-5-6-8-16(15)19)21-14-9-11-18(2,3)12-10-14/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyJENMDDIKEHTSCP-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.98
Rot. Bonds6

About 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine

2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine (PubChem CID 114342165) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
PubChem CID114342165
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
SMILESCCNCC(OC1CCC(C)(C)CC1)c1ccccc1Cl
InChIInChI=1S/C18H28ClNO/c1-4-20-13-17(15-7-5-6-8-16(15)19)21-14-9-11-18(2,3)12-10-14/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyJENMDDIKEHTSCP-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-cyclohexyloxy-N-ethylethanamine
CID 62108606
2-(2-chlorophenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine
CID 63475023
N-[2-(2-chlorophenyl)-2-cyclobutyloxyethyl]propan-1-amine
CID 62381645
N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
CID 62106804
2-(2-chlorophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205061
N-[2-(2-chlorophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63476222
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493
1-[1-(4,4-dimethylcyclohexyl)oxy-2-iodoethyl]-2-methoxybenzene
CID 114775179
1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene
CID 63468804
N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63475552
1-chloro-2-(1-cyclopropyloxy-2,2-dimethylpropyl)benzene
CID 154618376
2-cyclobutyloxy-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 62383124

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine (CID 114342165) is 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine is CCNCC(OC1CCC(C)(C)CC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
The InChIKey is JENMDDIKEHTSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-4-20-13-17(15-7-5-6-8-16(15)19)21-14-9-11-18(2,3)12-10-14/h5-8,14,17,20H,4,9-13H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine is sourced from PubChem (CID 114342165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).