(2-fluorophenyl)-(thian-4-yl)methanamine

C12H16FNS — CID 82391625

IUPAC(2-fluorophenyl)-(thian-4-yl)methanamine
SMILESNC(c1ccccc1F)C1CCSCC1
InChIInChI=1S/C12H16FNS/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9,12H,5-8,14H2
InChIKeyFHIZQMSVDZSXDQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.97
Rot. Bonds2

About (2-fluorophenyl)-(thian-4-yl)methanamine

(2-fluorophenyl)-(thian-4-yl)methanamine (PubChem CID 82391625) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is (2-fluorophenyl)-(thian-4-yl)methanamine.

Molecular Properties

Compound Name(2-fluorophenyl)-(thian-4-yl)methanamine
PubChem CID82391625
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name(2-fluorophenyl)-(thian-4-yl)methanamine
SMILESNC(c1ccccc1F)C1CCSCC1
InChIInChI=1S/C12H16FNS/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9,12H,5-8,14H2
InChIKeyFHIZQMSVDZSXDQ-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine
CID 105119564
4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938812
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79914958
3-bicyclo[3.1.0]hexanyl-(2-fluorophenyl)methanamine
CID 115828090
2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271
2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171201747
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(thian-4-yl)methanamine?
The IUPAC name of (2-fluorophenyl)-(thian-4-yl)methanamine (CID 82391625) is (2-fluorophenyl)-(thian-4-yl)methanamine.
What is the SMILES notation for (2-fluorophenyl)-(thian-4-yl)methanamine?
The canonical SMILES for (2-fluorophenyl)-(thian-4-yl)methanamine is NC(c1ccccc1F)C1CCSCC1.
What is the InChIKey of (2-fluorophenyl)-(thian-4-yl)methanamine?
The InChIKey is FHIZQMSVDZSXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9,12H,5-8,14H2.
What are the key properties of (2-fluorophenyl)-(thian-4-yl)methanamine?
(2-fluorophenyl)-(thian-4-yl)methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(thian-4-yl)methanamine is sourced from PubChem (CID 82391625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).