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

C17H23NS — CID 81155528

IUPACN-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)c1sc(C)cc1C
InChIInChI=1S/C17H23NS/c1-5-10-18-16(15-9-7-6-8-12(15)2)17-13(3)11-14(4)19-17/h6-9,11,16,18H,5,10H2,1-4H3
InChIKeyBNHRPCOSAVBGEV-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.76
Rot. Bonds5

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

N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 81155528) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
PubChem CID81155528
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)c1sc(C)cc1C
InChIInChI=1S/C17H23NS/c1-5-10-18-16(15-9-7-6-8-12(15)2)17-13(3)11-14(4)19-17/h6-9,11,16,18H,5,10H2,1-4H3
InChIKeyBNHRPCOSAVBGEV-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210
N-[(2,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 114369209
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 65278365
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
N-[(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477943
N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 43497806
N-[(3,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81157391
N-[(4-ethylthiadiazol-5-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094965
N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 81156942
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115484214
N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155911
N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794619

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine (CID 81155528) is N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1C)c1sc(C)cc1C.
What is the InChIKey of N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is BNHRPCOSAVBGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-5-10-18-16(15-9-7-6-8-12(15)2)17-13(3)11-14(4)19-17/h6-9,11,16,18H,5,10H2,1-4H3.
What are the key properties of N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine?
N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81155528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).