1-(2,5-dimethylphenyl)propane-1,3-diamine

C11H18N2 — CID 116932732

IUPAC1-(2,5-dimethylphenyl)propane-1,3-diamine
SMILESCc1ccc(C)c(C(N)CCN)c1
InChIInChI=1S/C11H18N2/c1-8-3-4-9(2)10(7-8)11(13)5-6-12/h3-4,7,11H,5-6,12-13H2,1-2H3
InChIKeyOLZHGOMDCUXPFA-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.65
Rot. Bonds3

About 1-(2,5-dimethylphenyl)propane-1,3-diamine

1-(2,5-dimethylphenyl)propane-1,3-diamine (PubChem CID 116932732) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)propane-1,3-diamine
PubChem CID116932732
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(2,5-dimethylphenyl)propane-1,3-diamine
SMILESCc1ccc(C)c(C(N)CCN)c1
InChIInChI=1S/C11H18N2/c1-8-3-4-9(2)10(7-8)11(13)5-6-12/h3-4,7,11H,5-6,12-13H2,1-2H3
InChIKeyOLZHGOMDCUXPFA-UHFFFAOYSA-N
XLogP1.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
(1S)-1-(2-bromo-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221661
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147960
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 82021677
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)propane-1,3-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)propane-1,3-diamine (CID 116932732) is 1-(2,5-dimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)propane-1,3-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)propane-1,3-diamine is Cc1ccc(C)c(C(N)CCN)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)propane-1,3-diamine?
The InChIKey is OLZHGOMDCUXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-3-4-9(2)10(7-8)11(13)5-6-12/h3-4,7,11H,5-6,12-13H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)propane-1,3-diamine?
1-(2,5-dimethylphenyl)propane-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116932732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).