1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H16Cl2F3N — CID 64755742

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2c(Cl)cccc2Cl)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16Cl2F3N/c15-11-2-1-3-12(16)10(11)8-13(20)6-4-9(5-7-13)14(17,18)19/h1-3,9H,4-8,20H2
InChIKeyBFYYYSHLWRSFJE-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.99
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755742) has the molecular formula C14H16Cl2F3N and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755742
Molecular FormulaC14H16Cl2F3N
Molecular Weight326.19 g/mol
Exact Mass325.06
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2c(Cl)cccc2Cl)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16Cl2F3N/c15-11-2-1-3-12(16)10(11)8-13(20)6-4-9(5-7-13)14(17,18)19/h1-3,9H,4-8,20H2
InChIKeyBFYYYSHLWRSFJE-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107307766
1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407468
1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756341
1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
CID 172647988
1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104802926
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline
CID 65384687
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132
1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene
CID 139083206
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755742) is 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is NC1(Cc2c(Cl)cccc2Cl)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BFYYYSHLWRSFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F3N/c15-11-2-1-3-12(16)10(11)8-13(20)6-4-9(5-7-13)14(17,18)19/h1-3,9H,4-8,20H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 326.19 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).