[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol

C14H17NOS — CID 62134695

IUPAC[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol
SMILESCc1cc(N(C)Cc2ccsc2)ccc1CO
InChIInChI=1S/C14H17NOS/c1-11-7-14(4-3-13(11)9-16)15(2)8-12-5-6-17-10-12/h3-7,10,16H,8-9H2,1-2H3
InChIKeySMFPVXNDQNZETB-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.19
Rot. Bonds4

About [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol

[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol (PubChem CID 62134695) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol
PubChem CID62134695
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol
SMILESCc1cc(N(C)Cc2ccsc2)ccc1CO
InChIInChI=1S/C14H17NOS/c1-11-7-14(4-3-13(11)9-16)15(2)8-12-5-6-17-10-12/h3-7,10,16H,8-9H2,1-2H3
InChIKeySMFPVXNDQNZETB-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 80631311
4-(chloromethyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528420
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 115490786
3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 62588302
[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol
CID 62134201
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
3-methyl-4-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 54934515
4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 114066032
4-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55236410
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
CID 55237346
4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
CID 63785395

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol (CID 62134695) is [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol is Cc1cc(N(C)Cc2ccsc2)ccc1CO.
What is the InChIKey of [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol?
The InChIKey is SMFPVXNDQNZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-7-14(4-3-13(11)9-16)15(2)8-12-5-6-17-10-12/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol?
[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol has a molecular weight of 247.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 62134695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).