N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine

C17H21NOS — CID 61003267

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCOCc1cccc(CNCc2ccc(SC)cc2)c1
InChIInChI=1S/C17H21NOS/c1-19-13-16-5-3-4-15(10-16)12-18-11-14-6-8-17(20-2)9-7-14/h3-10,18H,11-13H2,1-2H3
InChIKeyCZFITUPMHHZGTH-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.84
Rot. Bonds7

About N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine

N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 61003267) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
PubChem CID61003267
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCOCc1cccc(CNCc2ccc(SC)cc2)c1
InChIInChI=1S/C17H21NOS/c1-19-13-16-5-3-4-15(10-16)12-18-11-14-6-8-17(20-2)9-7-14/h3-10,18H,11-13H2,1-2H3
InChIKeyCZFITUPMHHZGTH-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
CID 103648640
N-[[3-[(4-methylsulfanylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63649093
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
N-[(4-bromo-3-chlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103581569
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 60751688
N-[[3-(methoxymethyl)phenyl]methyl]-3-phenylprop-2-yn-1-amine
CID 62339178

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine (CID 61003267) is N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine is COCc1cccc(CNCc2ccc(SC)cc2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is CZFITUPMHHZGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-19-13-16-5-3-4-15(10-16)12-18-11-14-6-8-17(20-2)9-7-14/h3-10,18H,11-13H2,1-2H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 287.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 61003267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).