1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine

C17H24N2O — CID 61426435

IUPAC1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2ccoc2C)c(C)c1
InChIInChI=1S/C17H24N2O/c1-12-5-6-16(13(2)9-12)17(10-18)19(4)11-15-7-8-20-14(15)3/h5-9,17H,10-11,18H2,1-4H3
InChIKeyBLMWDOWVFJUDNA-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.34
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine

1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine (PubChem CID 61426435) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
PubChem CID61426435
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2ccoc2C)c(C)c1
InChIInChI=1S/C17H24N2O/c1-12-5-6-16(13(2)9-12)17(10-18)19(4)11-15-7-8-20-14(15)3/h5-9,17H,10-11,18H2,1-4H3
InChIKeyBLMWDOWVFJUDNA-UHFFFAOYSA-N
XLogP3.34
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 61416089
1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 63208203
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 79579452
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879248
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 102838655
2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 62307943
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62135312
1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one
CID 62035271
1-(2,4-dimethylphenyl)-N-methyl-N-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000948
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
CID 61426720
4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide
CID 66426470
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine (CID 61426435) is 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine is Cc1ccc(C(CN)N(C)Cc2ccoc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is BLMWDOWVFJUDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-5-6-16(13(2)9-12)17(10-18)19(4)11-15-7-8-20-14(15)3/h5-9,17H,10-11,18H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 61426435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).