[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine

C15H19NS — CID 114997571

IUPAC[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine
SMILESCCCc1ccc(-c2sc(CN)cc2C)cc1
InChIInChI=1S/C15H19NS/c1-3-4-12-5-7-13(8-6-12)15-11(2)9-14(10-16)17-15/h5-9H,3-4,10,16H2,1-2H3
InChIKeySJBOSHDMIHZPCI-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.13
Rot. Bonds4

About [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine

[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine (PubChem CID 114997571) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine
PubChem CID114997571
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine
SMILESCCCc1ccc(-c2sc(CN)cc2C)cc1
InChIInChI=1S/C15H19NS/c1-3-4-12-5-7-13(8-6-12)15-11(2)9-14(10-16)17-15/h5-9H,3-4,10,16H2,1-2H3
InChIKeySJBOSHDMIHZPCI-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine
CID 114996813
3,4-difluoro-2,5-bis(4-propylphenyl)thiophene
CID 118390683
[5-(4-propylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360100
[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine
CID 114996811
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide
CID 106026493
(2-methyl-4-propylphenyl)methanamine
CID 86664509
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
5-methyl-6-(4-propylphenyl)pyridin-3-amine
CID 114049639
2-ethyl-3,4-difluoro-5-(4-propylphenyl)thiophene
CID 118390698
5-methyl-2-(4-propylphenyl)aniline
CID 82766529
[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine
CID 115002125

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine?
The IUPAC name of [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine (CID 114997571) is [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine is CCCc1ccc(-c2sc(CN)cc2C)cc1.
What is the InChIKey of [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine?
The InChIKey is SJBOSHDMIHZPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-3-4-12-5-7-13(8-6-12)15-11(2)9-14(10-16)17-15/h5-9H,3-4,10,16H2,1-2H3.
What are the key properties of [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine?
[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine has a molecular weight of 245.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 114997571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).