1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine

C15H22FNS — CID 65139996

IUPAC1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
SMILESNC(CSC1CCCCC1)Cc1ccccc1F
InChIInChI=1S/C15H22FNS/c16-15-9-5-4-6-12(15)10-13(17)11-18-14-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8,10-11,17H2
InChIKeyDJJSDDYWBNFKOV-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.76
Rot. Bonds5

About 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine

1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine (PubChem CID 65139996) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
PubChem CID65139996
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
SMILESNC(CSC1CCCCC1)Cc1ccccc1F
InChIInChI=1S/C15H22FNS/c16-15-9-5-4-6-12(15)10-13(17)11-18-14-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8,10-11,17H2
InChIKeyDJJSDDYWBNFKOV-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932106
1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine
CID 65138710
1-cyclohexylsulfanyl-3-(4-fluorophenyl)propan-2-amine
CID 65139947
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine
CID 65139954
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227417
1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
CID 63544199
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79825749
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine (CID 65139996) is 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine is NC(CSC1CCCCC1)Cc1ccccc1F.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is DJJSDDYWBNFKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c16-15-9-5-4-6-12(15)10-13(17)11-18-14-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8,10-11,17H2.
What are the key properties of 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine?
1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine has a molecular weight of 267.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 65139996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).