N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine

C14H18F3NOS — CID 115478131

IUPACN-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NOS/c1-18-12-7-2-3-8-13(12)20(19)11-6-4-5-10(9-11)14(15,16)17/h4-6,9,12-13,18H,2-3,7-8H2,1H3
InChIKeySRODKNZKEQVPKG-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.34
Rot. Bonds3

About N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine

N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine (PubChem CID 115478131) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine
PubChem CID115478131
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC NameN-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NOS/c1-18-12-7-2-3-8-13(12)20(19)11-6-4-5-10(9-11)14(15,16)17/h4-6,9,12-13,18H,2-3,7-8H2,1H3
InChIKeySRODKNZKEQVPKG-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-one
CID 115478145
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
CID 115478107
2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64658093
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-methylcycloheptan-1-amine
CID 115479179
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
CID 53444038
CID 53444038
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
2-(3-methoxyphenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64659136
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 81417477

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine (CID 115478131) is N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine is CNC1CCCCC1S(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine?
The InChIKey is SRODKNZKEQVPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-18-12-7-2-3-8-13(12)20(19)11-6-4-5-10(9-11)14(15,16)17/h4-6,9,12-13,18H,2-3,7-8H2,1H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine?
N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine has a molecular weight of 305.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine is sourced from PubChem (CID 115478131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).