2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol

C18H25NOS — CID 115742081

IUPAC2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
SMILESCC(C)(C)c1ccc(CNC(C)(CO)c2ccccc2)s1
InChIInChI=1S/C18H25NOS/c1-17(2,3)16-11-10-15(21-16)12-19-18(4,13-20)14-8-6-5-7-9-14/h5-11,19-20H,12-13H2,1-4H3
InChIKeyHKRGEMHACXAERR-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.04
Rot. Bonds5

About 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol

2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol (PubChem CID 115742081) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
PubChem CID115742081
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
SMILESCC(C)(C)c1ccc(CNC(C)(CO)c2ccccc2)s1
InChIInChI=1S/C18H25NOS/c1-17(2,3)16-11-10-15(21-16)12-19-18(4,13-20)14-8-6-5-7-9-14/h5-11,19-20H,12-13H2,1-4H3
InChIKeyHKRGEMHACXAERR-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]thiophen-2-yl]acetic acid
CID 105057816
N-[(5-tert-butylthiophen-2-yl)methyl]aniline
CID 58624276
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-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113237010
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
CID 115630532
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol (CID 115742081) is 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol is CC(C)(C)c1ccc(CNC(C)(CO)c2ccccc2)s1.
What is the InChIKey of 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is HKRGEMHACXAERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-17(2,3)16-11-10-15(21-16)12-19-18(4,13-20)14-8-6-5-7-9-14/h5-11,19-20H,12-13H2,1-4H3.
What are the key properties of 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol?
2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol has a molecular weight of 303.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 115742081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).