[4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol

C14H15NOS — CID 113374088

IUPAC[4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol
SMILESNc1cccc(CSc2ccc(CO)cc2)c1
InChIInChI=1S/C14H15NOS/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8,16H,9-10,15H2
InChIKeyNOAXXMOPQGHOMX-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.05
Rot. Bonds4

About [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol

[4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol (PubChem CID 113374088) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol
PubChem CID113374088
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name[4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol
SMILESNc1cccc(CSc2ccc(CO)cc2)c1
InChIInChI=1S/C14H15NOS/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8,16H,9-10,15H2
InChIKeyNOAXXMOPQGHOMX-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
3-[(3-aminophenyl)methylsulfanyl]-5-fluoroaniline
CID 113274192
3-[(3-aminophenyl)sulfanylmethyl]benzamide
CID 79133655
(3-aminophenyl)methanol;phenol
CID 174804454
[4-[(3-chlorophenyl)methylsulfanyl]phenyl]methanamine
CID 113384743
3-[(3-aminophenyl)methylsulfanyl]propane-1,2-diol
CID 79682804
4-[(3-aminophenyl)methylsulfanyl]-3-chloroaniline
CID 113274190
[4-[(2-aminophenyl)sulfanylmethyl]phenyl]methanol
CID 113365843
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 79134485
[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol
CID 113371991
3-(3-aminophenyl)propan-1-ol
CID 10103334
2-amino-4-[(4-fluorophenyl)sulfanylmethyl]phenol
CID 43377097

Frequently Asked Questions

What is the IUPAC name of [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol (CID 113374088) is [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol is Nc1cccc(CSc2ccc(CO)cc2)c1.
What is the InChIKey of [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol?
The InChIKey is NOAXXMOPQGHOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8,16H,9-10,15H2.
What are the key properties of [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol?
[4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol has a molecular weight of 245.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 113374088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).