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

C14H24N2 — CID 83928106

IUPAC2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCc1ccc(C)c(CC(C)C(CN)CN)c1
InChIInChI=1S/C14H24N2/c1-10-4-5-11(2)13(6-10)7-12(3)14(8-15)9-16/h4-6,12,14H,7-9,15-16H2,1-3H3
InChIKeyAPWIYTLZNZQPMI-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.02
Rot. Bonds5

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

2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine (PubChem CID 83928106) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
PubChem CID83928106
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCc1ccc(C)c(CC(C)C(CN)CN)c1
InChIInChI=1S/C14H24N2/c1-10-4-5-11(2)13(6-10)7-12(3)14(8-15)9-16/h4-6,12,14H,7-9,15-16H2,1-3H3
InChIKeyAPWIYTLZNZQPMI-UHFFFAOYSA-N
XLogP2.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,5-dimethylphenyl)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-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933623
2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 83928000
2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene
CID 63559949
2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496149
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046
4-(2,5-dimethylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81016684
1,4-dimethyl-2-(2-methylbut-3-enyl)benzene
CID 83928161
2-[(2,5-dimethylphenyl)methyl]-4-methylpent-4-en-1-amine
CID 138750181
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83939168
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine (CID 83928106) is 2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine is Cc1ccc(C)c(CC(C)C(CN)CN)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
The InChIKey is APWIYTLZNZQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-4-5-11(2)13(6-10)7-12(3)14(8-15)9-16/h4-6,12,14H,7-9,15-16H2,1-3H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine?
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83928106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).