3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol

C15H19NOS — CID 42867669

IUPAC3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
SMILESCN(CCC(O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C15H19NOS/c1-16(12-13-6-3-2-4-7-13)10-9-14(17)15-8-5-11-18-15/h2-8,11,14,17H,9-10,12H2,1H3
InChIKeyFVFKXJFOAPEKPV-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.30
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol

3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol (PubChem CID 42867669) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
PubChem CID42867669
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
SMILESCN(CCC(O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C15H19NOS/c1-16(12-13-6-3-2-4-7-13)10-9-14(17)15-8-5-11-18-15/h2-8,11,14,17H,9-10,12H2,1H3
InChIKeyFVFKXJFOAPEKPV-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
N-benzyl-N-methyl-3-(4-methylphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 42867719
3-[benzyl(methyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol
CID 82074544
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-N-methylnitrous amide
CID 169444537
N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573937
(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383331
(3R)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383329
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N-methylbutanamide
CID 23069586
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 143394771
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol (CID 42867669) is 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol is CN(CCC(O)c1cccs1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol?
The InChIKey is FVFKXJFOAPEKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-16(12-13-6-3-2-4-7-13)10-9-14(17)15-8-5-11-18-15/h2-8,11,14,17H,9-10,12H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol?
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 42867669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).