1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine

C15H26N2O — CID 115200689

IUPAC1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
SMILESCOc1ccc(C)cc1CN(C)CCC(C)(C)N
InChIInChI=1S/C15H26N2O/c1-12-6-7-14(18-5)13(10-12)11-17(4)9-8-15(2,3)16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyPHGZYBNZHBLWDR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.56
Rot. Bonds6

About 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine

1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine (PubChem CID 115200689) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
PubChem CID115200689
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
SMILESCOc1ccc(C)cc1CN(C)CCC(C)(C)N
InChIInChI=1S/C15H26N2O/c1-12-6-7-14(18-5)13(10-12)11-17(4)9-8-15(2,3)16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyPHGZYBNZHBLWDR-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine (CID 115200689) is 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine is COc1ccc(C)cc1CN(C)CCC(C)(C)N.
What is the InChIKey of 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine?
The InChIKey is PHGZYBNZHBLWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-6-7-14(18-5)13(10-12)11-17(4)9-8-15(2,3)16/h6-7,10H,8-9,11,16H2,1-5H3.
What are the key properties of 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine?
1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115200689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).