[4-(aminomethyl)phenyl]-(thian-3-yl)methanol

C13H19NOS — CID 115042232

IUPAC[4-(aminomethyl)phenyl]-(thian-3-yl)methanol
SMILESNCc1ccc(C(O)C2CCCSC2)cc1
InChIInChI=1S/C13H19NOS/c14-8-10-3-5-11(6-4-10)13(15)12-2-1-7-16-9-12/h3-6,12-13,15H,1-2,7-9,14H2
InChIKeyNBZMPPYNQYFEQT-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.32
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(thian-3-yl)methanol

[4-(aminomethyl)phenyl]-(thian-3-yl)methanol (PubChem CID 115042232) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(thian-3-yl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(thian-3-yl)methanol
PubChem CID115042232
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[4-(aminomethyl)phenyl]-(thian-3-yl)methanol
SMILESNCc1ccc(C(O)C2CCCSC2)cc1
InChIInChI=1S/C13H19NOS/c14-8-10-3-5-11(6-4-10)13(15)12-2-1-7-16-9-12/h3-6,12-13,15H,1-2,7-9,14H2
InChIKeyNBZMPPYNQYFEQT-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-(1,1-dioxothian-4-yl)methanol
CID 115050223
[3-(2-aminoethyl)phenyl]-(thiolan-3-yl)methanol
CID 115042240
(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol
CID 114283109
(4-chloro-3-methoxyphenyl)-(thian-3-yl)methanol
CID 114283113
(2-amino-5-methylphenyl)-(thian-3-yl)methanol
CID 105499567
[4-(1-cycloheptylethyl)phenyl]methanamine
CID 115038542
[4-(1-cyclobutyl-2-fluoroethyl)phenyl]methanamine
CID 115025387
cyclohexyl-(4-ethylphenyl)methanol
CID 60797623
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
2-[[4-(aminomethyl)phenyl]-hydroxymethyl]cyclopropane-1-carbonitrile
CID 151276579
[2-[fluoro(thian-3-yl)methyl]phenyl]methanamine
CID 115043292
1-[4-(aminomethyl)phenyl]-1-cyclopentyl-N,N-dimethylmethanamine
CID 116907172

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(thian-3-yl)methanol?
The IUPAC name of [4-(aminomethyl)phenyl]-(thian-3-yl)methanol (CID 115042232) is [4-(aminomethyl)phenyl]-(thian-3-yl)methanol.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(thian-3-yl)methanol?
The canonical SMILES for [4-(aminomethyl)phenyl]-(thian-3-yl)methanol is NCc1ccc(C(O)C2CCCSC2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(thian-3-yl)methanol?
The InChIKey is NBZMPPYNQYFEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c14-8-10-3-5-11(6-4-10)13(15)12-2-1-7-16-9-12/h3-6,12-13,15H,1-2,7-9,14H2.
What are the key properties of [4-(aminomethyl)phenyl]-(thian-3-yl)methanol?
[4-(aminomethyl)phenyl]-(thian-3-yl)methanol has a molecular weight of 237.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(thian-3-yl)methanol is sourced from PubChem (CID 115042232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).