5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline

C16H20N2O — CID 62004359

IUPAC5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
SMILESCOc1cccc(N(C)Cc2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H20N2O/c1-12-7-8-13(9-16(12)17)11-18(2)14-5-4-6-15(10-14)19-3/h4-10H,11,17H2,1-3H3
InChIKeyDKFSNDMATSEPKM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds4

About 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline

5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline (PubChem CID 62004359) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
PubChem CID62004359
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
SMILESCOc1cccc(N(C)Cc2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H20N2O/c1-12-7-8-13(9-16(12)17)11-18(2)14-5-4-6-15(10-14)19-3/h4-10H,11,17H2,1-3H3
InChIKeyDKFSNDMATSEPKM-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
CID 63189213
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
CID 112646114
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934
N-[(2-hydrazinyl-4-pyridinyl)methyl]-3-methoxy-N-methylaniline
CID 62471694
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 55130362
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline?
The IUPAC name of 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline (CID 62004359) is 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline.
What is the SMILES notation for 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline?
The canonical SMILES for 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline is COc1cccc(N(C)Cc2ccc(C)c(N)c2)c1.
What is the InChIKey of 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline?
The InChIKey is DKFSNDMATSEPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-7-8-13(9-16(12)17)11-18(2)14-5-4-6-15(10-14)19-3/h4-10H,11,17H2,1-3H3.
What are the key properties of 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline?
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline is sourced from PubChem (CID 62004359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).