(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol

C14H17NOS — CID 7248561

IUPAC(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
SMILESCc1ccc(CNC[C@H](O)c2ccccc2)s1
InChIInChI=1S/C14H17NOS/c1-11-7-8-13(17-11)9-15-10-14(16)12-5-3-2-4-6-12/h2-8,14-16H,9-10H2,1H3/t14-/m0/s1
InChIKeyRFESZRKCLAMAKV-AWEZNQCLSA-N
MW247.36 g/mol
LogP2.88
Rot. Bonds5

About (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol

(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol (PubChem CID 7248561) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
PubChem CID7248561
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
SMILESCc1ccc(CNC[C@H](O)c2ccccc2)s1
InChIInChI=1S/C14H17NOS/c1-11-7-8-13(17-11)9-15-10-14(16)12-5-3-2-4-6-12/h2-8,14-16H,9-10H2,1H3/t14-/m0/s1
InChIKeyRFESZRKCLAMAKV-AWEZNQCLSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
CID 125467354
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-phenylbutan-1-amine
CID 107876117
methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate
CID 82886709
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
4-methyl-1-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 103631692
4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 111448862
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol
CID 62743070
2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine
CID 64571063
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol (CID 7248561) is (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol is Cc1ccc(CNC[C@H](O)c2ccccc2)s1.
What is the InChIKey of (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol?
The InChIKey is RFESZRKCLAMAKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-7-8-13(17-11)9-15-10-14(16)12-5-3-2-4-6-12/h2-8,14-16H,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol?
(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol has a molecular weight of 247.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol is sourced from PubChem (CID 7248561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).