3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine

C15H18N2O — CID 112647467

IUPAC3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine
SMILESCOCc1ccccc1Nc1cc(C)cc(N)c1
InChIInChI=1S/C15H18N2O/c1-11-7-13(16)9-14(8-11)17-15-6-4-3-5-12(15)10-18-2/h3-9,17H,10,16H2,1-2H3
InChIKeyRYWAKDVMGLDBHD-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.47
Rot. Bonds4

About 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine

3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine (PubChem CID 112647467) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine
PubChem CID112647467
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine
SMILESCOCc1ccccc1Nc1cc(C)cc(N)c1
InChIInChI=1S/C15H18N2O/c1-11-7-13(16)9-14(8-11)17-15-6-4-3-5-12(15)10-18-2/h3-9,17H,10,16H2,1-2H3
InChIKeyRYWAKDVMGLDBHD-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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

6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 116796734
2-amino-4-[2-(methoxymethyl)anilino]benzoic acid
CID 104500392
2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
CID 55056695
6-N-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine
CID 80652415
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
2-chloro-4-[2-(methoxymethyl)anilino]benzonitrile
CID 62947985
methyl 4-amino-3-[2-(methoxymethyl)anilino]benzoate
CID 82775744
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647073
4-[2-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212427

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine (CID 112647467) is 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine is COCc1ccccc1Nc1cc(C)cc(N)c1.
What is the InChIKey of 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine?
The InChIKey is RYWAKDVMGLDBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-7-13(16)9-14(8-11)17-15-6-4-3-5-12(15)10-18-2/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine?
3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 112647467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).