[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine

C15H18N2S — CID 116936981

IUPAC[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2cccc(CN)c2)cc1
InChIInChI=1S/C15H18N2S/c1-18-14-7-5-12(6-8-14)15(17)13-4-2-3-11(9-13)10-16/h2-9,15H,10,16-17H2,1H3
InChIKeyOZHNQXOWQSCOAY-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.92
Rot. Bonds4

About [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine

[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine (PubChem CID 116936981) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine
PubChem CID116936981
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2cccc(CN)c2)cc1
InChIInChI=1S/C15H18N2S/c1-18-14-7-5-12(6-8-14)15(17)13-4-2-3-11(9-13)10-16/h2-9,15H,10,16-17H2,1H3
InChIKeyOZHNQXOWQSCOAY-UHFFFAOYSA-N
XLogP2.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
CID 116936956
(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-[3-(4-methylsulfanylphenoxy)propoxy]phenyl]methanamine
CID 63649819
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine
CID 116937056
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978
2-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 54176621
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
CID 116936966
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine (CID 116936981) is [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)c2cccc(CN)c2)cc1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine?
The InChIKey is OZHNQXOWQSCOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-18-14-7-5-12(6-8-14)15(17)13-4-2-3-11(9-13)10-16/h2-9,15H,10,16-17H2,1H3.
What are the key properties of [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine?
[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine has a molecular weight of 258.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 116936981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).