[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol

C14H17NOS — CID 103648607

IUPAC[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
SMILESCc1ccsc1CNCc1cccc(CO)c1
InChIInChI=1S/C14H17NOS/c1-11-5-6-17-14(11)9-15-8-12-3-2-4-13(7-12)10-16/h2-7,15-16H,8-10H2,1H3
InChIKeyFYIDZVHEYPWITR-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.84
Rot. Bonds5

About [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol

[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol (PubChem CID 103648607) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
PubChem CID103648607
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
SMILESCc1ccsc1CNCc1cccc(CO)c1
InChIInChI=1S/C14H17NOS/c1-11-5-6-17-14(11)9-15-8-12-3-2-4-13(7-12)10-16/h2-7,15-16H,8-10H2,1H3
InChIKeyFYIDZVHEYPWITR-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113225343
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120
1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 103998382
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
3-[[2-(3-methylthiophen-2-yl)ethylamino]methyl]benzoic acid
CID 122032385
[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
CID 107230485
[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
CID 103648640
1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113221923
CID 172777676
CID 172777676
1-[(3-bromophenyl)methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111883471

Frequently Asked Questions

What is the IUPAC name of [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol (CID 103648607) is [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol is Cc1ccsc1CNCc1cccc(CO)c1.
What is the InChIKey of [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is FYIDZVHEYPWITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-5-6-17-14(11)9-15-8-12-3-2-4-13(7-12)10-16/h2-7,15-16H,8-10H2,1H3.
What are the key properties of [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol?
[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 247.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 103648607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).