N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine

C16H24ClNO — CID 63504887

IUPACN-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine
SMILESCc1cc(OCCNC2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C16H24ClNO/c1-12-3-5-14(6-4-12)18-9-10-19-15-7-8-16(17)13(2)11-15/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3
InChIKeyKUHIXKSNHNCALN-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.20
Rot. Bonds5

About N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine

N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 63504887) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine
PubChem CID63504887
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine
SMILESCc1cc(OCCNC2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C16H24ClNO/c1-12-3-5-14(6-4-12)18-9-10-19-15-7-8-16(17)13(2)11-15/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3
InChIKeyKUHIXKSNHNCALN-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-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(3,5-difluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62784905
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
N-[2-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
3-[2-[(4-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103233999
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine (CID 63504887) is N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine is Cc1cc(OCCNC2CCC(C)CC2)ccc1Cl.
What is the InChIKey of N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is KUHIXKSNHNCALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12-3-5-14(6-4-12)18-9-10-19-15-7-8-16(17)13(2)11-15/h7-8,11-12,14,18H,3-6,9-10H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine?
N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-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-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 63504887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).