4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine

C14H18F3N — CID 83261999

IUPAC4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-5-1-10(2-6-12)9-11-3-7-13(18)8-4-11/h1-2,5-6,11,13H,3-4,7-9,18H2
InChIKeyRUGNHGYXJUUNKS-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.77
Rot. Bonds2

About 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine

4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 83261999) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
PubChem CID83261999
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESNC1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-5-1-10(2-6-12)9-11-3-7-13(18)8-4-11/h1-2,5-6,11,13H,3-4,7-9,18H2
InChIKeyRUGNHGYXJUUNKS-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene
CID 64508710
4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 73439156
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
CID 47002379
3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine
CID 64506233
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine
CID 162565754
3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
CID 79461380
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866
4-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]aniline
CID 156774748
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 81014967

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (CID 83261999) is 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is NC1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is RUGNHGYXJUUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)12-5-1-10(2-6-12)9-11-3-7-13(18)8-4-11/h1-2,5-6,11,13H,3-4,7-9,18H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 83261999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).