(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine

C13H22N2 — CID 104868204

IUPAC(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCc1cc(C)c(CN[C@H](C)CN)c(C)c1
InChIInChI=1S/C13H22N2/c1-9-5-10(2)13(11(3)6-9)8-15-12(4)7-14/h5-6,12,15H,7-8,14H2,1-4H3/t12-/m1/s1
InChIKeyPXWHEVDHEXYJCT-GFCCVEGCSA-N
MW206.33 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine

(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine (PubChem CID 104868204) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
PubChem CID104868204
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCc1cc(C)c(CN[C@H](C)CN)c(C)c1
InChIInChI=1S/C13H22N2/c1-9-5-10(2)13(11(3)6-9)8-15-12(4)7-14/h5-6,12,15H,7-8,14H2,1-4H3/t12-/m1/s1
InChIKeyPXWHEVDHEXYJCT-GFCCVEGCSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43177296
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077
2-N-[(3-bromo-5-methylphenyl)methyl]propane-1,2-diamine
CID 104851447
2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115198487
2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 82505025
(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine
CID 104868200
1-iodo-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 107859391
2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187544
(2S)-2-N-[(4-bromo-3-methylphenyl)methyl]propane-1,2-diamine
CID 104867673
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
CID 104868163
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine (CID 104868204) is (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine is Cc1cc(C)c(CN[C@H](C)CN)c(C)c1.
What is the InChIKey of (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine?
The InChIKey is PXWHEVDHEXYJCT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N2/c1-9-5-10(2)13(11(3)6-9)8-15-12(4)7-14/h5-6,12,15H,7-8,14H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine?
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).