N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine

C15H19NS — CID 102834501

IUPACN-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine
SMILESCCC(NC)c1cccc(-c2ccsc2C)c1
InChIInChI=1S/C15H19NS/c1-4-15(16-3)13-7-5-6-12(10-13)14-8-9-17-11(14)2/h5-10,15-16H,4H2,1-3H3
InChIKeyAIFJNRYNHXZJIS-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.39
Rot. Bonds4

About N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine

N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine (PubChem CID 102834501) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine
PubChem CID102834501
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine
SMILESCCC(NC)c1cccc(-c2ccsc2C)c1
InChIInChI=1S/C15H19NS/c1-4-15(16-3)13-7-5-6-12(10-13)14-8-9-17-11(14)2/h5-10,15-16H,4H2,1-3H3
InChIKeyAIFJNRYNHXZJIS-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(2,4,5-trimethylphenyl)phenyl]propan-1-amine
CID 64984941
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
N-methyl-1-[3-(4-methyl-3-pyridinyl)phenyl]propan-1-amine
CID 66271239
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
CID 61033126
1-[3-(1,3-dimethylpyrazol-4-yl)phenyl]-N-methylpropan-1-amine
CID 66007870
N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
3-[3-[1-(methylamino)propyl]phenyl]benzonitrile
CID 54911796
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-(2-methylthiophen-3-yl)aniline
CID 102834201
N-methyl-3-[1-(methylamino)propyl]aniline
CID 116951935
5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile
CID 55030874

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine (CID 102834501) is N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine is CCC(NC)c1cccc(-c2ccsc2C)c1.
What is the InChIKey of N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine?
The InChIKey is AIFJNRYNHXZJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-4-15(16-3)13-7-5-6-12(10-13)14-8-9-17-11(14)2/h5-10,15-16H,4H2,1-3H3.
What are the key properties of N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine?
N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine is sourced from PubChem (CID 102834501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).