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

C14H24N2O — CID 82945252

IUPAC2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(C)cc1CNC(C)CN(C)C
InChIInChI=1S/C14H24N2O/c1-11-6-7-14(17-5)13(8-11)9-15-12(2)10-16(3)4/h6-8,12,15H,9-10H2,1-5H3
InChIKeyFYMGKHUBYBFLKG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.04
Rot. Bonds6

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

2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82945252) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82945252
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(C)cc1CNC(C)CN(C)C
InChIInChI=1S/C14H24N2O/c1-11-6-7-14(17-5)13(8-11)9-15-12(2)10-16(3)4/h6-8,12,15H,9-10H2,1-5H3
InChIKeyFYMGKHUBYBFLKG-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-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

2-N-[(5-bromo-2-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944908
3-[[1-(dimethylamino)propan-2-ylamino]methyl]-4-methoxybenzonitrile
CID 82937751
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946054
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945293
1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43431597
1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
CID 43696003
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432805
(2R)-2-[(2-methoxy-5-methylphenyl)methylamino]-3-methylbutanoic acid
CID 93056746
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43406710

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82945252) is 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc(C)cc1CNC(C)CN(C)C.
What is the InChIKey of 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is FYMGKHUBYBFLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-6-7-14(17-5)13(8-11)9-15-12(2)10-16(3)4/h6-8,12,15H,9-10H2,1-5H3.
What are the key properties of 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82945252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).