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

C16H21NS — CID 54977569

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine
SMILESCc1cc(CNCC(C)c2ccccc2)c(C)s1
InChIInChI=1S/C16H21NS/c1-12(15-7-5-4-6-8-15)10-17-11-16-9-13(2)18-14(16)3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyWSULQJBFELSFEE-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.26
Rot. Bonds5

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

N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine (PubChem CID 54977569) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine
PubChem CID54977569
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine
SMILESCc1cc(CNCC(C)c2ccccc2)c(C)s1
InChIInChI=1S/C16H21NS/c1-12(15-7-5-4-6-8-15)10-17-11-16-9-13(2)18-14(16)3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyWSULQJBFELSFEE-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine
CID 102831045
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
CID 106863140
3-[(2,5-dimethylthiophen-3-yl)methylamino]propane-1,2-diol
CID 66177586
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenoxyethanamine
CID 55013040
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763664
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
4-[(2,5-dimethylthiophen-3-yl)methylamino]butan-2-ol
CID 64911526
N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
CID 43431962

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine (CID 54977569) is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine is Cc1cc(CNCC(C)c2ccccc2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine?
The InChIKey is WSULQJBFELSFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12(15-7-5-4-6-8-15)10-17-11-16-9-13(2)18-14(16)3/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 54977569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).