N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine

C17H24FNS — CID 103931829

IUPACN-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC1CC(c2ccccc2F)C1
InChIInChI=1S/C17H24FNS/c1-20-17-9-5-4-8-16(17)19-13-10-12(11-13)14-6-2-3-7-15(14)18/h2-3,6-7,12-13,16-17,19H,4-5,8-11H2,1H3
InChIKeySJJAOVOLTDCOTA-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.34
Rot. Bonds4

About N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine

N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103931829) has the molecular formula C17H24FNS and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID103931829
Molecular FormulaC17H24FNS
Molecular Weight293.45 g/mol
Exact Mass293.16
IUPAC NameN-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NC1CC(c2ccccc2F)C1
InChIInChI=1S/C17H24FNS/c1-20-17-9-5-4-8-16(17)19-13-10-12(11-13)14-6-2-3-7-15(14)18/h2-3,6-7,12-13,16-17,19H,4-5,8-11H2,1H3
InChIKeySJJAOVOLTDCOTA-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
CID 43633190
4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103779434
N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine
CID 113243151
N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103777434
3-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 114121231
N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine
CID 43634682
3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine
CID 104587846
3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
CID 64742391
N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262269
N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103786604
1-cyclopentyl-2-fluorobenzene
CID 53415938
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine (CID 103931829) is N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NC1CC(c2ccccc2F)C1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is SJJAOVOLTDCOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNS/c1-20-17-9-5-4-8-16(17)19-13-10-12(11-13)14-6-2-3-7-15(14)18/h2-3,6-7,12-13,16-17,19H,4-5,8-11H2,1H3.
What are the key properties of N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine?
N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103931829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).