(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine

C13H16F3N — CID 171224857

IUPAC(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine
SMILESN[C@H](c1cc(F)cc(F)c1F)C1CCCCC1
InChIInChI=1S/C13H16F3N/c14-9-6-10(12(16)11(15)7-9)13(17)8-4-2-1-3-5-8/h6-8,13H,1-5,17H2/t13-/m0/s1
InChIKeyJNRSYYYXXCLQSA-ZDUSSCGKSA-N
MW243.27 g/mol
LogP3.68
Rot. Bonds2

About (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine

(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine (PubChem CID 171224857) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine
PubChem CID171224857
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine
SMILESN[C@H](c1cc(F)cc(F)c1F)C1CCCCC1
InChIInChI=1S/C13H16F3N/c14-9-6-10(12(16)11(15)7-9)13(17)8-4-2-1-3-5-8/h6-8,13H,1-5,17H2/t13-/m0/s1
InChIKeyJNRSYYYXXCLQSA-ZDUSSCGKSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3,5-trifluorophenyl)ethanol;hydrochloride
CID 171262501
(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
CID 171230086
2-amino-6-[(S)-amino(cyclohexyl)methyl]-4-fluorophenol
CID 171253920
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171224995
2-[(R)-amino(cyclohexyl)methyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205422
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine?
The IUPAC name of (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine (CID 171224857) is (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine.
What is the SMILES notation for (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine?
The canonical SMILES for (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine is N[C@H](c1cc(F)cc(F)c1F)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine?
The InChIKey is JNRSYYYXXCLQSA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16F3N/c14-9-6-10(12(16)11(15)7-9)13(17)8-4-2-1-3-5-8/h6-8,13H,1-5,17H2/t13-/m0/s1.
What are the key properties of (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine?
(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine has a molecular weight of 243.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine is sourced from PubChem (CID 171224857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).