3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine

C15H18N2O — CID 62589428

IUPAC3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
SMILESCOc1cccc(CNc2cc(N)ccc2C)c1
InChIInChI=1S/C15H18N2O/c1-11-6-7-13(16)9-15(11)17-10-12-4-3-5-14(8-12)18-2/h3-9,17H,10,16H2,1-2H3
InChIKeyVIRDVPYEDHQDGU-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.20
Rot. Bonds4

About 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine

3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine (PubChem CID 62589428) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
PubChem CID62589428
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
SMILESCOc1cccc(CNc2cc(N)ccc2C)c1
InChIInChI=1S/C15H18N2O/c1-11-6-7-13(16)9-15(11)17-10-12-4-3-5-14(8-12)18-2/h3-9,17H,10,16H2,1-2H3
InChIKeyVIRDVPYEDHQDGU-UHFFFAOYSA-N
XLogP3.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trichloro-N-[(3-methoxyphenyl)methyl]aniline
CID 29266547
3-fluoro-1-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 54911085
N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115211768
N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
CID 83960754
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779
6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113431252
5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
CID 144774827
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 28878919

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine (CID 62589428) is 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine is COc1cccc(CNc2cc(N)ccc2C)c1.
What is the InChIKey of 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine?
The InChIKey is VIRDVPYEDHQDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-7-13(16)9-15(11)17-10-12-4-3-5-14(8-12)18-2/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine?
3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 62589428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).