1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine

C15H21F3N2 — CID 79065985

IUPAC1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2ccc(F)c(F)c2F)CCCCC1
InChIInChI=1S/C15H21F3N2/c1-20(2)15(8-4-3-5-9-15)14(19)10-6-7-11(16)13(18)12(10)17/h6-7,14H,3-5,8-9,19H2,1-2H3
InChIKeyLMIIQOVOOXBERC-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.37
Rot. Bonds3

About 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79065985) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79065985
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2ccc(F)c(F)c2F)CCCCC1
InChIInChI=1S/C15H21F3N2/c1-20(2)15(8-4-3-5-9-15)14(19)10-6-7-11(16)13(18)12(10)17/h6-7,14H,3-5,8-9,19H2,1-2H3
InChIKeyLMIIQOVOOXBERC-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066959
1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066664
1-[amino-(2,6-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065982
1-[amino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 113447269
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 107516442
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
CID 63080571
1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79081682
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446
1-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070361

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79065985) is 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)c2ccc(F)c(F)c2F)CCCCC1.
What is the InChIKey of 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is LMIIQOVOOXBERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-20(2)15(8-4-3-5-9-15)14(19)10-6-7-11(16)13(18)12(10)17/h6-7,14H,3-5,8-9,19H2,1-2H3.
What are the key properties of 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 286.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79065985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).