2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine

C13H22N2 — CID 82077390

IUPAC2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1ccc(C)c(C(CN)CN(C)C)c1
InChIInChI=1S/C13H22N2/c1-10-5-6-11(2)13(7-10)12(8-14)9-15(3)4/h5-7,12H,8-9,14H2,1-4H3
InChIKeyFHOFVDAAXUHRPX-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.91
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine

2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82077390) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID82077390
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1ccc(C)c(C(CN)CN(C)C)c1
InChIInChI=1S/C13H22N2/c1-10-5-6-11(2)13(7-10)12(8-14)9-15(3)4/h5-7,12H,8-9,14H2,1-4H3
InChIKeyFHOFVDAAXUHRPX-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2,5-dimethylphenyl)propan-1-ol
CID 82280728
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
3-[3-amino-2-(2,5-dimethylphenyl)propyl]benzonitrile
CID 82140987
2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine
CID 19597880
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
3-amino-2-(2,5-dimethylphenyl)propanenitrile
CID 82503364
N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 43272877
2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 82138492
1-(2,5-dimethylphenyl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477292
2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82302460
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
dimethylamino-(2,5-dimethylphenyl)methanol
CID 116909513

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 82077390) is 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine is Cc1ccc(C)c(C(CN)CN(C)C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FHOFVDAAXUHRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-5-6-11(2)13(7-10)12(8-14)9-15(3)4/h5-7,12H,8-9,14H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine?
2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82077390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).