1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine

C19H25NO — CID 64686932

IUPAC1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccc(CNC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H25NO/c1-14-5-6-15(2)19(11-14)16(3)20-12-17-7-9-18(10-8-17)13-21-4/h5-11,16,20H,12-13H2,1-4H3
InChIKeyLHDOWQOCNJQESX-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.30
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine

1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine (PubChem CID 64686932) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
PubChem CID64686932
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccc(CNC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H25NO/c1-14-5-6-15(2)19(11-14)16(3)20-12-17-7-9-18(10-8-17)13-21-4/h5-11,16,20H,12-13H2,1-4H3
InChIKeyLHDOWQOCNJQESX-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 43221696
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43081375
N-[(4-methylphenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43103422
N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
CID 43672059
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909779
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
5-[[1-(2,5-dimethylphenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317147
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine (CID 64686932) is 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine is COCc1ccc(CNC(C)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is LHDOWQOCNJQESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-5-6-15(2)19(11-14)16(3)20-12-17-7-9-18(10-8-17)13-21-4/h5-11,16,20H,12-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine?
1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 64686932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).