2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine

C13H16N2O — CID 62523846

IUPAC2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N)c(C)c2)o1
InChIInChI=1S/C13H16N2O/c1-9-7-11(4-6-13(9)14)15-8-12-5-3-10(2)16-12/h3-7,15H,8,14H2,1-2H3
InChIKeyMVFVUHKBQNLKAC-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine

2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine (PubChem CID 62523846) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
PubChem CID62523846
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N)c(C)c2)o1
InChIInChI=1S/C13H16N2O/c1-9-7-11(4-6-13(9)14)15-8-12-5-3-10(2)16-12/h3-7,15H,8,14H2,1-2H3
InChIKeyMVFVUHKBQNLKAC-UHFFFAOYSA-N
XLogP3.09
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.09
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

3-N-[(5-methylfuran-2-yl)methyl]benzene-1,3-diamine
CID 62525026
4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 54863650
2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol
CID 43743697
3-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43380614
4-ethoxy-3-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 112685476
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
N-[2-chloro-4-[(5-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 43690180
4-[(4-amino-3-methylanilino)methyl]phenol
CID 23437192
4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
CID 107571841
3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762015
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62809873

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine (CID 62523846) is 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine is Cc1ccc(CNc2ccc(N)c(C)c2)o1.
What is the InChIKey of 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine?
The InChIKey is MVFVUHKBQNLKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-7-11(4-6-13(9)14)15-8-12-5-3-10(2)16-12/h3-7,15H,8,14H2,1-2H3.
What are the key properties of 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine?
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine has a molecular weight of 216.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 62523846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).