2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine

C17H26ClNO — CID 63488678

IUPAC2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1ccc(Cl)cc1C1CCCCC1
InChIInChI=1S/C17H26ClNO/c1-17(2,12-19-3)20-16-10-9-14(18)11-15(16)13-7-5-4-6-8-13/h9-11,13,19H,4-8,12H2,1-3H3
InChIKeyFOQKUUQZULSLSZ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.76
Rot. Bonds5

About 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine

2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine (PubChem CID 63488678) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine
PubChem CID63488678
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1ccc(Cl)cc1C1CCCCC1
InChIInChI=1S/C17H26ClNO/c1-17(2,12-19-3)20-16-10-9-14(18)11-15(16)13-7-5-4-6-8-13/h9-11,13,19H,4-8,12H2,1-3H3
InChIKeyFOQKUUQZULSLSZ-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
N-[2-(4-chloro-2-cyclohexylphenoxy)ethyl]propan-2-amine
CID 63517195
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide
CID 63703656
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
CID 43378258
2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine
CID 62354816
4-(4-chloro-2-cyclohexylphenoxy)piperidine
CID 22397483
4-(4-chloro-2-cyclohexylphenoxy)phenol
CID 12767829
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81016874
2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 78887844
5-(4-chloro-2-cyclohexylphenoxy)pentanoic acid
CID 43351580
2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64854500

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine (CID 63488678) is 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine is CNCC(C)(C)Oc1ccc(Cl)cc1C1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is FOQKUUQZULSLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-17(2,12-19-3)20-16-10-9-14(18)11-15(16)13-7-5-4-6-8-13/h9-11,13,19H,4-8,12H2,1-3H3.
What are the key properties of 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine?
2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 63488678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).