N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C15H19F4N — CID 63646209

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(CNC2CCCCC2C(F)(F)F)cc1F
InChIInChI=1S/C15H19F4N/c1-10-6-7-11(8-13(10)16)9-20-14-5-3-2-4-12(14)15(17,18)19/h6-8,12,14,20H,2-5,9H2,1H3
InChIKeyDNWQPCIWYFWFFO-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.34
Rot. Bonds3

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 63646209) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID63646209
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(CNC2CCCCC2C(F)(F)F)cc1F
InChIInChI=1S/C15H19F4N/c1-10-6-7-11(8-13(10)16)9-20-14-5-3-2-4-12(14)15(17,18)19/h6-8,12,14,20H,2-5,9H2,1H3
InChIKeyDNWQPCIWYFWFFO-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine
CID 63052233
N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434463
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 63645558
N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62134250
N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 79970039
N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 102909770
2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine
CID 103700181
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61263630

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 63646209) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is Cc1ccc(CNC2CCCCC2C(F)(F)F)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DNWQPCIWYFWFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-10-6-7-11(8-13(10)16)9-20-14-5-3-2-4-12(14)15(17,18)19/h6-8,12,14,20H,2-5,9H2,1H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 289.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 63646209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).