N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine

C16H24ClNO — CID 63506584

IUPACN-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine
SMILESCc1cc(Cl)ccc1OCCNC1CCCCC1C
InChIInChI=1S/C16H24ClNO/c1-12-5-3-4-6-15(12)18-9-10-19-16-8-7-14(17)11-13(16)2/h7-8,11-12,15,18H,3-6,9-10H2,1-2H3
InChIKeyQBWXNLMFKIRQAO-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.20
Rot. Bonds5

About N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine

N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 63506584) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine
PubChem CID63506584
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine
SMILESCc1cc(Cl)ccc1OCCNC1CCCCC1C
InChIInChI=1S/C16H24ClNO/c1-12-5-3-4-6-15(12)18-9-10-19-16-8-7-14(17)11-13(16)2/h7-8,11-12,15,18H,3-6,9-10H2,1-2H3
InChIKeyQBWXNLMFKIRQAO-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 63506543
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 63516082
(1S,2S,3R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 11905311
N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 114677037
N-[2-(4-chloro-2-methylphenoxy)ethyl]propan-1-amine
CID 29015804
5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
CID 54798405
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-(2-cyclohexylethoxy)aniline
CID 54802030
2-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-dioxane
CID 66474760
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine
CID 95455698

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine (CID 63506584) is N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine is Cc1cc(Cl)ccc1OCCNC1CCCCC1C.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is QBWXNLMFKIRQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12-5-3-4-6-15(12)18-9-10-19-16-8-7-14(17)11-13(16)2/h7-8,11-12,15,18H,3-6,9-10H2,1-2H3.
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine?
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 63506584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).