[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol

C11H14FNOS — CID 82984157

IUPAC[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol
SMILESNCC1(Sc2ccccc2F)CC1CO
InChIInChI=1S/C11H14FNOS/c12-9-3-1-2-4-10(9)15-11(7-13)5-8(11)6-14/h1-4,8,14H,5-7,13H2
InChIKeyMBNPQZNEBAVIQP-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.63
Rot. Bonds4

About [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol

[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol (PubChem CID 82984157) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol
PubChem CID82984157
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol
SMILESNCC1(Sc2ccccc2F)CC1CO
InChIInChI=1S/C11H14FNOS/c12-9-3-1-2-4-10(9)15-11(7-13)5-8(11)6-14/h1-4,8,14H,5-7,13H2
InChIKeyMBNPQZNEBAVIQP-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)sulfanyl-3-phenylcyclobutyl]methanamine
CID 66096998
[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
CID 66096162
[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine
CID 66096585
1-(2-fluorophenyl)sulfanyl-3-hydroxycyclobutane-1-carboxylic acid
CID 66085424
[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine
CID 84790406
[(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol
CID 95002743
2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine
CID 103068055
[(2S,4R,5S)-5-amino-5-(2-fluorophenyl)-2-methyloxan-4-yl]methanol
CID 58406100
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115441667
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744864
1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile
CID 66051682
[(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol
CID 68947425

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol?
The IUPAC name of [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol (CID 82984157) is [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol.
What is the SMILES notation for [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol?
The canonical SMILES for [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol is NCC1(Sc2ccccc2F)CC1CO.
What is the InChIKey of [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol?
The InChIKey is MBNPQZNEBAVIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-3-1-2-4-10(9)15-11(7-13)5-8(11)6-14/h1-4,8,14H,5-7,13H2.
What are the key properties of [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol?
[2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol has a molecular weight of 227.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-(2-fluorophenyl)sulfanylcyclopropyl]methanol is sourced from PubChem (CID 82984157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).