2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine

C14H24N2O — CID 83933019

IUPAC2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCOc1ccc(C)cc1CC(C)C(CN)CN
InChIInChI=1S/C14H24N2O/c1-10-4-5-14(17-3)12(6-10)7-11(2)13(8-15)9-16/h4-6,11,13H,7-9,15-16H2,1-3H3
InChIKeyVFNZTBRAJCTJJF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.72
Rot. Bonds6

About 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine

2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine (PubChem CID 83933019) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
PubChem CID83933019
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCOc1ccc(C)cc1CC(C)C(CN)CN
InChIInChI=1S/C14H24N2O/c1-10-4-5-14(17-3)12(6-10)7-11(2)13(8-15)9-16/h4-6,11,13H,7-9,15-16H2,1-3H3
InChIKeyVFNZTBRAJCTJJF-UHFFFAOYSA-N
XLogP1.72
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-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

Related Compounds

2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933623
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
N'-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252463
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
CID 63470462
3-(2-methoxy-5-methylphenyl)-2-methylpropanal
CID 64666639
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine (CID 83933019) is 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine is COc1ccc(C)cc1CC(C)C(CN)CN.
What is the InChIKey of 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine?
The InChIKey is VFNZTBRAJCTJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-4-5-14(17-3)12(6-10)7-11(2)13(8-15)9-16/h4-6,11,13H,7-9,15-16H2,1-3H3.
What are the key properties of 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine?
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83933019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).