1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine

C15H22FNS — CID 82932599

IUPAC1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1cccc(F)c1)C1CCCCCC1
InChIInChI=1S/C15H22FNS/c16-13-8-5-9-14(10-13)18-11-15(17)12-6-3-1-2-4-7-12/h5,8-10,12,15H,1-4,6-7,11,17H2
InChIKeyVHJKBFUQBWACDL-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.22
Rot. Bonds4

About 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine

1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine (PubChem CID 82932599) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
PubChem CID82932599
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1cccc(F)c1)C1CCCCCC1
InChIInChI=1S/C15H22FNS/c16-13-8-5-9-14(10-13)18-11-15(17)12-6-3-1-2-4-7-12/h5,8-10,12,15H,1-4,6-7,11,17H2
InChIKeyVHJKBFUQBWACDL-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine
CID 104755477
1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine
CID 104755358
1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
CID 104755863
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 113449492
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096114
[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105236374
1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine
CID 104755139
2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine
CID 66161382

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine (CID 82932599) is 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine is NC(CSc1cccc(F)c1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine?
The InChIKey is VHJKBFUQBWACDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c16-13-8-5-9-14(10-13)18-11-15(17)12-6-3-1-2-4-7-12/h5,8-10,12,15H,1-4,6-7,11,17H2.
What are the key properties of 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine?
1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine has a molecular weight of 267.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 82932599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).