N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine

C18H28ClNO — CID 104749569

IUPACN-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(COc1cc(Cl)ccc1C)C1CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-11-20-17(15-7-5-4-6-8-15)13-21-18-12-16(19)10-9-14(18)2/h9-10,12,15,17,20H,3-8,11,13H2,1-2H3
InChIKeyOXWXOVINXITKRX-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.98
Rot. Bonds7

About N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine

N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine (PubChem CID 104749569) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
PubChem CID104749569
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(COc1cc(Cl)ccc1C)C1CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-11-20-17(15-7-5-4-6-8-15)13-21-18-12-16(19)10-9-14(18)2/h9-10,12,15,17,20H,3-8,11,13H2,1-2H3
InChIKeyOXWXOVINXITKRX-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 104749295
N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
CID 104748323
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine (CID 104749569) is N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine is CCCNC(COc1cc(Cl)ccc1C)C1CCCCC1.
What is the InChIKey of N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine?
The InChIKey is OXWXOVINXITKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-11-20-17(15-7-5-4-6-8-15)13-21-18-12-16(19)10-9-14(18)2/h9-10,12,15,17,20H,3-8,11,13H2,1-2H3.
What are the key properties of N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine?
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine is sourced from PubChem (CID 104749569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).