2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine

C14H19ClFN — CID 106365254

IUPAC2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
SMILESFc1cccc(CNC2CCCCC2CCl)c1
InChIInChI=1S/C14H19ClFN/c15-9-12-5-1-2-7-14(12)17-10-11-4-3-6-13(16)8-11/h3-4,6,8,12,14,17H,1-2,5,7,9-10H2
InChIKeyIPJSAEQEUAFOCR-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.71
Rot. Bonds4

About 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine

2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 106365254) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
PubChem CID106365254
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
SMILESFc1cccc(CNC2CCCCC2CCl)c1
InChIInChI=1S/C14H19ClFN/c15-9-12-5-1-2-7-14(12)17-10-11-4-3-6-13(16)8-11/h3-4,6,8,12,14,17H,1-2,5,7,9-10H2
InChIKeyIPJSAEQEUAFOCR-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol
CID 106364946
2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
CID 106366080
2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 86790349
cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 99586249
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
N-[(3-fluorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79544989
1-N,2-N-bis[(3-chlorophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040602
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43434076

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine (CID 106365254) is 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine is Fc1cccc(CNC2CCCCC2CCl)c1.
What is the InChIKey of 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is IPJSAEQEUAFOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-9-12-5-1-2-7-14(12)17-10-11-4-3-6-13(16)8-11/h3-4,6,8,12,14,17H,1-2,5,7,9-10H2.
What are the key properties of 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine?
2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106365254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).