1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

C15H19ClF3NO — CID 65025042

IUPAC1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESFC(F)(F)Oc1ccc(CNC2(CCl)CCCCC2)cc1
InChIInChI=1S/C15H19ClF3NO/c16-11-14(8-2-1-3-9-14)20-10-12-4-6-13(7-5-12)21-15(17,18)19/h4-7,20H,1-3,8-11H2
InChIKeyWRPXKBHFUJUCAZ-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.62
Rot. Bonds5

About 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (PubChem CID 65025042) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
PubChem CID65025042
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESFC(F)(F)Oc1ccc(CNC2(CCl)CCCCC2)cc1
InChIInChI=1S/C15H19ClF3NO/c16-11-14(8-2-1-3-9-14)20-10-12-4-6-13(7-5-12)21-15(17,18)19/h4-7,20H,1-3,8-11H2
InChIKeyWRPXKBHFUJUCAZ-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 63454373
[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol
CID 115763085
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol
CID 103740393
N-[(4-chloro-3-fluorophenyl)methyl]-1-(chloromethyl)cyclopentan-1-amine
CID 107887426
1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65029969
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 62740964
N-[(1-methylsulfanylcyclopropyl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 107267440
1-(chloromethyl)-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029964
[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520257

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (CID 65025042) is 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is FC(F)(F)Oc1ccc(CNC2(CCl)CCCCC2)cc1.
What is the InChIKey of 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is WRPXKBHFUJUCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c16-11-14(8-2-1-3-9-14)20-10-12-4-6-13(7-5-12)21-15(17,18)19/h4-7,20H,1-3,8-11H2.
What are the key properties of 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 321.77 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 65025042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).