N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine

C18H28ClNO — CID 65124692

IUPACN-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCc2cccc(Cl)c2)CCCC(C)C1
InChIInChI=1S/C18H28ClNO/c1-3-10-20-14-18(9-5-6-15(2)12-18)21-13-16-7-4-8-17(19)11-16/h4,7-8,11,15,20H,3,5-6,9-10,12-14H2,1-2H3
InChIKeyIRJPSTBMXJJUOF-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.81
Rot. Bonds7

About N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine

N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine (PubChem CID 65124692) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine
PubChem CID65124692
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCc2cccc(Cl)c2)CCCC(C)C1
InChIInChI=1S/C18H28ClNO/c1-3-10-20-14-18(9-5-6-15(2)12-18)21-13-16-7-4-8-17(19)11-16/h4,7-8,11,15,20H,3,5-6,9-10,12-14H2,1-2H3
InChIKeyIRJPSTBMXJJUOF-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709
N-[[1-[(3-chlorophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 65124397
N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 65124443
N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
CID 82831973
N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine
CID 65124979
N-[[1-[(4-bromophenyl)methoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 82831969
[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine
CID 65052350
N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474271
[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 82832048
N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine
CID 63473773
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine (CID 65124692) is N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine is CCCNCC1(OCc2cccc(Cl)c2)CCCC(C)C1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine?
The InChIKey is IRJPSTBMXJJUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-10-20-14-18(9-5-6-15(2)12-18)21-13-16-7-4-8-17(19)11-16/h4,7-8,11,15,20H,3,5-6,9-10,12-14H2,1-2H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine?
N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 65124692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).