2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol

C14H24N2O — CID 83928223

IUPAC2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
SMILESCNCCC(N)C(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H24N2O/c1-9-7-10(2)13(11(3)8-9)14(17)12(15)5-6-16-4/h7-8,12,14,16-17H,5-6,15H2,1-4H3
InChIKeyANVZHKAIACROHV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.58
Rot. Bonds5

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

2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol (PubChem CID 83928223) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
PubChem CID83928223
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol
SMILESCNCCC(N)C(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H24N2O/c1-9-7-10(2)13(11(3)8-9)14(17)12(15)5-6-16-4/h7-8,12,14,16-17H,5-6,15H2,1-4H3
InChIKeyANVZHKAIACROHV-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diamino-1-(2,4,6-trimethylphenyl)butan-1-ol
CID 83928218
2-amino-1-(2-ethoxy-3,5-dimethylphenyl)-4-(methylamino)butan-1-ol
CID 83942048
N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine
CID 82077222
2-amino-1-(2-methoxy-6-methylphenyl)-4-(methylamino)butan-1-ol
CID 83923874
1-(4-hydroxy-2,6-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890167
methyl 3-amino-4-hydroxy-4-(2,4,6-trimethylphenyl)butanoate
CID 82348930
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
1-(2,6-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889774
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
4-[2-amino-1-hydroxy-4-(methylamino)butyl]-2-(hydroxymethyl)phenol
CID 83920807
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylamino)butan-1-ol
CID 83922120
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol?
The IUPAC name of 2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol (CID 83928223) is 2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol is CNCCC(N)C(O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol?
The InChIKey is ANVZHKAIACROHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-7-10(2)13(11(3)8-9)14(17)12(15)5-6-16-4/h7-8,12,14,16-17H,5-6,15H2,1-4H3.
What are the key properties of 2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol?
2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methylamino)-1-(2,4,6-trimethylphenyl)butan-1-ol is sourced from PubChem (CID 83928223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).