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

C15H19NOS — CID 113237010

IUPAC2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
SMILESCc1ccsc1CNC(C)(CO)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-12-8-9-18-14(12)10-16-15(2,11-17)13-6-4-3-5-7-13/h3-9,16-17H,10-11H2,1-2H3
InChIKeyIEPVPMHKQKSGIB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.05
Rot. Bonds5

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

2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol (PubChem CID 113237010) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
PubChem CID113237010
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
SMILESCc1ccsc1CNC(C)(CO)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-12-8-9-18-14(12)10-16-15(2,11-17)13-6-4-3-5-7-13/h3-9,16-17H,10-11H2,1-2H3
InChIKeyIEPVPMHKQKSGIB-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol
CID 78956096
2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588017
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113234125
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 115742081
methyl 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propanoate
CID 43725939
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
CID 115630532
2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61054387
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-[5-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]thiophen-2-yl]acetic acid
CID 105057816

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol (CID 113237010) is 2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol is Cc1ccsc1CNC(C)(CO)c1ccccc1.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is IEPVPMHKQKSGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12-8-9-18-14(12)10-16-15(2,11-17)13-6-4-3-5-7-13/h3-9,16-17H,10-11H2,1-2H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol?
2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 113237010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).