1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine

C17H26ClNO — CID 65030424

IUPAC1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine
SMILESCC1CCC(CCl)(NCCCOc2ccccc2)CC1
InChIInChI=1S/C17H26ClNO/c1-15-8-10-17(14-18,11-9-15)19-12-5-13-20-16-6-3-2-4-7-16/h2-4,6-7,15,19H,5,8-14H2,1H3
InChIKeyOJUFELHBCUCZGY-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.23
Rot. Bonds7

About 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine

1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine (PubChem CID 65030424) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine
PubChem CID65030424
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine
SMILESCC1CCC(CCl)(NCCCOc2ccccc2)CC1
InChIInChI=1S/C17H26ClNO/c1-15-8-10-17(14-18,11-9-15)19-12-5-13-20-16-6-3-2-4-7-16/h2-4,6-7,15,19H,5,8-14H2,1H3
InChIKeyOJUFELHBCUCZGY-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-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

1-(chloromethyl)-N-(3-fluoropropyl)-4-methylcyclohexan-1-amine
CID 81114643
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65029969
1-(chloromethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106457696
N-methyl-3-phenoxypropan-1-amine
CID 22067856
4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
CID 65393665
2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
CID 62936608
[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62526048
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646008
1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 65030361
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine (CID 65030424) is 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine is CC1CCC(CCl)(NCCCOc2ccccc2)CC1.
What is the InChIKey of 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine?
The InChIKey is OJUFELHBCUCZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-15-8-10-17(14-18,11-9-15)19-12-5-13-20-16-6-3-2-4-7-16/h2-4,6-7,15,19H,5,8-14H2,1H3.
What are the key properties of 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine?
1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 65030424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).