N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine

C18H23NO — CID 105409944

IUPACN-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-5-19-12-15-7-6-13(2)17(11-15)16-8-9-18(20-4)14(3)10-16/h6-11,19H,5,12H2,1-4H3
InChIKeyWIRKSCKZGKPSCK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.09
Rot. Bonds5

About N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine

N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine (PubChem CID 105409944) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
PubChem CID105409944
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-5-19-12-15-7-6-13(2)17(11-15)16-8-9-18(20-4)14(3)10-16/h6-11,19H,5,12H2,1-4H3
InChIKeyWIRKSCKZGKPSCK-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408656
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408285
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 105408935
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
CID 54912220
1-[3-(4-chloro-3-methoxyphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105409070
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
N-[[4-(3-chloro-4-methoxyphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441468
4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1-methylbenzene
CID 94285527

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine (CID 105409944) is N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(-c2ccc(OC)c(C)c2)c1.
What is the InChIKey of N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine?
The InChIKey is WIRKSCKZGKPSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-19-12-15-7-6-13(2)17(11-15)16-8-9-18(20-4)14(3)10-16/h6-11,19H,5,12H2,1-4H3.
What are the key properties of N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine?
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105409944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).