(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol

C15H19NOS — CID 104922908

IUPAC(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1ccsc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C15H19NOS/c1-12-7-8-18-15(12)10-16-14(11-17)9-13-5-3-2-4-6-13/h2-8,14,16-17H,9-11H2,1H3/t14-/m1/s1
InChIKeyMNKXPESHRWZXAG-CQSZACIVSA-N
MW261.39 g/mol
LogP2.75
Rot. Bonds6

About (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 104922908) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID104922908
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1ccsc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C15H19NOS/c1-12-7-8-18-15(12)10-16-14(11-17)9-13-5-3-2-4-6-13/h2-8,14,16-17H,9-11H2,1H3/t14-/m1/s1
InChIKeyMNKXPESHRWZXAG-CQSZACIVSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 66387003
N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 107860731
4-[(3-methylthiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511953
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666
(2S)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenylmethoxypentan-2-amine
CID 59085012
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947
(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610067
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 102835691
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol
CID 104922935
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol (CID 104922908) is (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol is Cc1ccsc1CN[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is MNKXPESHRWZXAG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12-7-8-18-15(12)10-16-14(11-17)9-13-5-3-2-4-6-13/h2-8,14,16-17H,9-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).