3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol

C15H19NOS — CID 75514970

IUPAC3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
SMILESCN(Cc1cccs1)C(CCO)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-16(12-14-8-5-11-18-14)15(9-10-17)13-6-3-2-4-7-13/h2-8,11,15,17H,9-10,12H2,1H3
InChIKeyYINOUOBCKNSQAI-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.30
Rot. Bonds6

About 3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol

3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol (PubChem CID 75514970) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
PubChem CID75514970
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
SMILESCN(Cc1cccs1)C(CCO)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-16(12-14-8-5-11-18-14)15(9-10-17)13-6-3-2-4-7-13/h2-8,11,15,17H,9-10,12H2,1H3
InChIKeyYINOUOBCKNSQAI-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

3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489158
3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97256570
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489104
3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489135
2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
CID 43818907
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 71092063
3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 115883398
(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol (CID 75514970) is 3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol is CN(Cc1cccs1)C(CCO)c1ccccc1.
What is the InChIKey of 3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol?
The InChIKey is YINOUOBCKNSQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-16(12-14-8-5-11-18-14)15(9-10-17)13-6-3-2-4-7-13/h2-8,11,15,17H,9-10,12H2,1H3.
What are the key properties of 3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol?
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-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-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 75514970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).