N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine

C17H23NOS — CID 119033742

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine
SMILESCOCC(C)(NCc1cc(C)sc1C)c1ccccc1
InChIInChI=1S/C17H23NOS/c1-13-10-15(14(2)20-13)11-18-17(3,12-19-4)16-8-6-5-7-9-16/h5-10,18H,11-12H2,1-4H3
InChIKeyUOWMHSADSRXUDR-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.02
Rot. Bonds6

About N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine (PubChem CID 119033742) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine
PubChem CID119033742
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine
SMILESCOCC(C)(NCc1cc(C)sc1C)c1ccccc1
InChIInChI=1S/C17H23NOS/c1-13-10-15(14(2)20-13)11-18-17(3,12-19-4)16-8-6-5-7-9-16/h5-10,18H,11-12H2,1-4H3
InChIKeyUOWMHSADSRXUDR-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methoxy-N-[(2-methyl-3-pyridinyl)methyl]-2-phenylpropan-2-amine
CID 99699520
(2R)-N-[(2,5-dimethoxyphenyl)methyl]-1-methoxy-2-phenylpropan-2-amine
CID 97334692
1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 86816772
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenoxyethanamine
CID 55013040
2-(3-hydroxyphenyl)-N-(1-methoxy-2-phenylpropan-2-yl)acetamide
CID 75518765
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 96560017
N-[(2,5-dimethylthiophen-3-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 63443500
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
CID 63428003
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666
2-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-5-methylaniline
CID 82761487
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763664

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine (CID 119033742) is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine is COCC(C)(NCc1cc(C)sc1C)c1ccccc1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine?
The InChIKey is UOWMHSADSRXUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13-10-15(14(2)20-13)11-18-17(3,12-19-4)16-8-6-5-7-9-16/h5-10,18H,11-12H2,1-4H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methoxy-2-phenylpropan-2-amine is sourced from PubChem (CID 119033742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).