N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine

C18H23NOS — CID 60753165

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCCOCc1ccccc1CNCc1ccc(SC)cc1
InChIInChI=1S/C18H23NOS/c1-3-20-14-17-7-5-4-6-16(17)13-19-12-15-8-10-18(21-2)11-9-15/h4-11,19H,3,12-14H2,1-2H3
InChIKeyYRZZXQNQSCDKSI-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.23
Rot. Bonds8

About N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 60753165) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
PubChem CID60753165
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCCOCc1ccccc1CNCc1ccc(SC)cc1
InChIInChI=1S/C18H23NOS/c1-3-20-14-17-7-5-4-6-16(17)13-19-12-15-8-10-18(21-2)11-9-15/h4-11,19H,3,12-14H2,1-2H3
InChIKeyYRZZXQNQSCDKSI-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61401469
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62121813
1-(3-bromophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]methanamine
CID 60752045
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60924648
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414575
N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine
CID 76940344
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61003267
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
1-(ethoxymethyl)-2-methylsulfanylbenzene
CID 91470135

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine (CID 60753165) is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine is CCOCc1ccccc1CNCc1ccc(SC)cc1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is YRZZXQNQSCDKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-20-14-17-7-5-4-6-16(17)13-19-12-15-8-10-18(21-2)11-9-15/h4-11,19H,3,12-14H2,1-2H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 60753165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).