2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine

C17H23NS — CID 104845591

IUPAC2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)Cc1ccsc1
InChIInChI=1S/C17H23NS/c1-3-10-18-17(16-7-5-4-6-8-16)14(2)12-15-9-11-19-13-15/h4-9,11,13-14,17-18H,3,10,12H2,1-2H3
InChIKeyZLLPIPABEVIUJW-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.67
Rot. Bonds7

About 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine

2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 104845591) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID104845591
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)Cc1ccsc1
InChIInChI=1S/C17H23NS/c1-3-10-18-17(16-7-5-4-6-8-16)14(2)12-15-9-11-19-13-15/h4-9,11,13-14,17-18H,3,10,12H2,1-2H3
InChIKeyZLLPIPABEVIUJW-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845559
3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
CID 43734672
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374
N-[1-(1-phenylcyclopropyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62881756
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612607
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 104845591) is 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(c1ccccc1)C(C)Cc1ccsc1.
What is the InChIKey of 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ZLLPIPABEVIUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-10-18-17(16-7-5-4-6-8-16)14(2)12-15-9-11-19-13-15/h4-9,11,13-14,17-18H,3,10,12H2,1-2H3.
What are the key properties of 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine?
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 104845591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).