1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

C14H17NS — CID 60664383

IUPAC1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccccc2C)s1
InChIInChI=1S/C14H17NS/c1-11-5-3-4-6-13(11)9-15-10-14-8-7-12(2)16-14/h3-8,15H,9-10H2,1-2H3
InChIKeyKXANIVIFZJXVSJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.65
Rot. Bonds4

About 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (PubChem CID 60664383) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
PubChem CID60664383
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccccc2C)s1
InChIInChI=1S/C14H17NS/c1-11-5-3-4-6-13(11)9-15-10-14-8-7-12(2)16-14/h3-8,15H,9-10H2,1-2H3
InChIKeyKXANIVIFZJXVSJ-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62771250
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzene-1,2-diol
CID 62054003
N'-hydroxy-2-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenecarboximidamide
CID 77028431
N-[(5-methylthiophen-2-yl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 60776676
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
CID 114480189
1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 80649049
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 4723153
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 65316186

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (CID 60664383) is 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is Cc1ccc(CNCc2ccccc2C)s1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is KXANIVIFZJXVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-11-5-3-4-6-13(11)9-15-10-14-8-7-12(2)16-14/h3-8,15H,9-10H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 231.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 60664383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).