2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine

C18H28ClNO — CID 63500386

IUPAC2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(Oc2ccc(C)cc2Cl)C1
InChIInChI=1S/C18H28ClNO/c1-4-6-14-8-9-16(20-5-2)18(12-14)21-17-10-7-13(3)11-15(17)19/h7,10-11,14,16,18,20H,4-6,8-9,12H2,1-3H3
InChIKeyHOOSNZRHZREFNW-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.97
Rot. Bonds6

About 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine

2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine (PubChem CID 63500386) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine
PubChem CID63500386
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(Oc2ccc(C)cc2Cl)C1
InChIInChI=1S/C18H28ClNO/c1-4-6-14-8-9-16(20-5-2)18(12-14)21-17-10-7-13(3)11-15(17)19/h7,10-11,14,16,18,20H,4-6,8-9,12H2,1-3H3
InChIKeyHOOSNZRHZREFNW-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63500202
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
2-(2,4-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63473606
2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63475594
2-(3-methylphenoxy)-N,4-dipropylcyclohexan-1-amine
CID 63475423
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139
6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79834544
3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66350697
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943730
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 63401618
N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine (CID 63500386) is 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(Oc2ccc(C)cc2Cl)C1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine?
The InChIKey is HOOSNZRHZREFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-4-6-14-8-9-16(20-5-2)18(12-14)21-17-10-7-13(3)11-15(17)19/h7,10-11,14,16,18,20H,4-6,8-9,12H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine?
2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63500386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).