1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine

C15H19NS — CID 115794294

IUPAC1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine
SMILESCc1cc(C(N)CCc2ccccc2)sc1C
InChIInChI=1S/C15H19NS/c1-11-10-15(17-12(11)2)14(16)9-8-13-6-4-3-5-7-13/h3-7,10,14H,8-9,16H2,1-2H3
InChIKeyHODPJAOXKFEXRO-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.00
Rot. Bonds4

About 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine

1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine (PubChem CID 115794294) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine
PubChem CID115794294
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine
SMILESCc1cc(C(N)CCc2ccccc2)sc1C
InChIInChI=1S/C15H19NS/c1-11-10-15(17-12(11)2)14(16)9-8-13-6-4-3-5-7-13/h3-7,10,14H,8-9,16H2,1-2H3
InChIKeyHODPJAOXKFEXRO-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115800599
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
CID 82822872
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029526
1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine
CID 43167403
(2S)-4-phenylbutan-2-amine
CID 6994564
(3R)-1-phenylhexan-3-amine
CID 66612996
1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine
CID 104789711
1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone
CID 75598820
2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115810291
5-phenylpentane-1,3-diamine
CID 68702978
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine (CID 115794294) is 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine is Cc1cc(C(N)CCc2ccccc2)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine?
The InChIKey is HODPJAOXKFEXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-11-10-15(17-12(11)2)14(16)9-8-13-6-4-3-5-7-13/h3-7,10,14H,8-9,16H2,1-2H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine?
1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 115794294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).