N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine

C16H24ClNO — CID 65130563

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCOCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNO/c1-13-3-2-4-16(11-13)18-9-10-19-12-14-5-7-15(17)8-6-14/h5-8,13,16,18H,2-4,9-12H2,1H3
InChIKeyOREXPGCUJYEICY-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.02
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine

N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine (PubChem CID 65130563) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
PubChem CID65130563
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCOCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNO/c1-13-3-2-4-16(11-13)18-9-10-19-12-14-5-7-15(17)8-6-14/h5-8,13,16,18H,2-4,9-12H2,1H3
InChIKeyOREXPGCUJYEICY-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.02
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-(furan-2-ylmethoxy)ethyl]-3-methylcyclohexan-1-amine
CID 62565180
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine
CID 63505530
N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 63517342
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 61483630
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine
CID 103290276
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine (CID 65130563) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCCOCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is OREXPGCUJYEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-13-3-2-4-16(11-13)18-9-10-19-12-14-5-7-15(17)8-6-14/h5-8,13,16,18H,2-4,9-12H2,1H3.
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 65130563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).