N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine

C15H19NS2 — CID 65246200

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNCc2cc(C)c(C)s2)cc1
InChIInChI=1S/C15H19NS2/c1-11-8-15(18-12(11)2)10-16-9-13-4-6-14(17-3)7-5-13/h4-8,16H,9-10H2,1-3H3
InChIKeyBRAMJAXJMPMNSF-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.38
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 65246200) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine
PubChem CID65246200
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNCc2cc(C)c(C)s2)cc1
InChIInChI=1S/C15H19NS2/c1-11-8-15(18-12(11)2)10-16-9-13-4-6-14(17-3)7-5-13/h4-8,16H,9-10H2,1-3H3
InChIKeyBRAMJAXJMPMNSF-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]phenol
CID 65246469
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641
1-(3-bromo-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 79710421
1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 114452944
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 65246100
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65246330
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 65238850
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine
CID 738604
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine (CID 65246200) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine is CSc1ccc(CNCc2cc(C)c(C)s2)cc1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is BRAMJAXJMPMNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-11-8-15(18-12(11)2)10-16-9-13-4-6-14(17-3)7-5-13/h4-8,16H,9-10H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 277.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 65246200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).