2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol

C13H22N2O — CID 83928218

IUPAC2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol
SMILESCc1cc(C)c(C(O)C(N)CCN)c(C)c1
InChIInChI=1S/C13H22N2O/c1-8-6-9(2)12(10(3)7-8)13(16)11(15)4-5-14/h6-7,11,13,16H,4-5,14-15H2,1-3H3
InChIKeyPBQOZWGGPDGQMV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.32
Rot. Bonds4

About 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol

2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol (PubChem CID 83928218) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol
PubChem CID83928218
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol
SMILESCc1cc(C)c(C(O)C(N)CCN)c(C)c1
InChIInChI=1S/C13H22N2O/c1-8-6-9(2)12(10(3)7-8)13(16)11(15)4-5-14/h6-7,11,13,16H,4-5,14-15H2,1-3H3
InChIKeyPBQOZWGGPDGQMV-UHFFFAOYSA-N
XLogP1.32
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
CID 83928223
2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942307
methyl 3-amino-4-hydroxy-4-(2,4,6-trimethylphenyl)butanoate
CID 82348930
2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 83927786
tert-butyl N-[4-amino-1-hydroxy-1-(2,4,6-trimethylphenyl)butan-2-yl]carbamate
CID 83928221
4-amino-1-(2-amino-3,5-dimethylphenyl)butane-1,2-diol
CID 171881305
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
3-(2-bromo-4,6-dimethylphenyl)butan-1-amine
CID 84805272
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
CID 83928281
2,4-diamino-1-phenylbutan-1-ol
CID 83936523

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol?
The IUPAC name of 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol (CID 83928218) is 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol.
What is the SMILES notation for 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol?
The canonical SMILES for 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol is Cc1cc(C)c(C(O)C(N)CCN)c(C)c1.
What is the InChIKey of 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol?
The InChIKey is PBQOZWGGPDGQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8-6-9(2)12(10(3)7-8)13(16)11(15)4-5-14/h6-7,11,13,16H,4-5,14-15H2,1-3H3.
What are the key properties of 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol?
2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol is sourced from PubChem (CID 83928218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).