1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine

C10H19ClFN — CID 81114412

IUPAC1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine
SMILESFCCCNC1(CCl)CCCCC1
InChIInChI=1S/C10H19ClFN/c11-9-10(13-8-4-7-12)5-2-1-3-6-10/h13H,1-9H2
InChIKeyWTFSQLHYYYOGNR-UHFFFAOYSA-N
MW207.72 g/mol
LogP2.88
Rot. Bonds5

About 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine

1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine (PubChem CID 81114412) has the molecular formula C10H19ClFN and a molecular weight of 207.72 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine
PubChem CID81114412
Molecular FormulaC10H19ClFN
Molecular Weight207.72 g/mol
Exact Mass207.12
IUPAC Name1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine
SMILESFCCCNC1(CCl)CCCCC1
InChIInChI=1S/C10H19ClFN/c11-9-10(13-8-4-7-12)5-2-1-3-6-10/h13H,1-9H2
InChIKeyWTFSQLHYYYOGNR-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-N-(3-fluoropropyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine (CID 81114412) is 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine is FCCCNC1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine?
The InChIKey is WTFSQLHYYYOGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClFN/c11-9-10(13-8-4-7-12)5-2-1-3-6-10/h13H,1-9H2.
What are the key properties of 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine?
1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine has a molecular weight of 207.72 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(3-fluoropropyl)cyclohexan-1-amine is sourced from PubChem (CID 81114412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).