[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol

C15H17FN2OS — CID 24773642

IUPAC[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
SMILESCNCc1cc(F)ccc1Sc1ccc(CO)cc1N
InChIInChI=1S/C15H17FN2OS/c1-18-8-11-7-12(16)3-5-14(11)20-15-4-2-10(9-19)6-13(15)17/h2-7,18-19H,8-9,17H2,1H3
InChIKeyGEUAVPHLAHOYKE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.77
Rot. Bonds5

About [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol

[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol (PubChem CID 24773642) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
PubChem CID24773642
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
SMILESCNCc1cc(F)ccc1Sc1ccc(CO)cc1N
InChIInChI=1S/C15H17FN2OS/c1-18-8-11-7-12(16)3-5-14(11)20-15-4-2-10(9-19)6-13(15)17/h2-7,18-19H,8-9,17H2,1H3
InChIKeyGEUAVPHLAHOYKE-UHFFFAOYSA-N
XLogP2.77
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline
CID 11346324
1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
1-[2-(3,4-dimethylphenyl)sulfanyl-5-fluorophenyl]-N-methylmethanamine
CID 63804444
1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63808898
1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63806022
2-[2-(methylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline
CID 10828902
[3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylphenyl]methanol;oxalic acid
CID 146079399
1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine
CID 11416712
[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol
CID 63836021
5-fluoro-2-(methylaminomethyl)phenol
CID 82595579
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 11266568

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol?
The IUPAC name of [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol (CID 24773642) is [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol is CNCc1cc(F)ccc1Sc1ccc(CO)cc1N.
What is the InChIKey of [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol?
The InChIKey is GEUAVPHLAHOYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-18-8-11-7-12(16)3-5-14(11)20-15-4-2-10(9-19)6-13(15)17/h2-7,18-19H,8-9,17H2,1H3.
What are the key properties of [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol?
[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol has a molecular weight of 292.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 24773642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).