2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol

C13H22N2O — CID 116957579

IUPAC2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
SMILESCNC(c1ccc(C)c(C)c1C)C(N)CO
InChIInChI=1S/C13H22N2O/c1-8-5-6-11(10(3)9(8)2)13(15-4)12(14)7-16/h5-6,12-13,15-16H,7,14H2,1-4H3
InChIKeyFAQDKXMAQOPJBI-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.19
Rot. Bonds4

About 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol

2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol (PubChem CID 116957579) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
PubChem CID116957579
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
SMILESCNC(c1ccc(C)c(C)c1C)C(N)CO
InChIInChI=1S/C13H22N2O/c1-8-5-6-11(10(3)9(8)2)13(15-4)12(14)7-16/h5-6,12-13,15-16H,7,14H2,1-4H3
InChIKeyFAQDKXMAQOPJBI-UHFFFAOYSA-N
XLogP1.19
TPSA58.28 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 ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960302
2-amino-3-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 116957451
2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
CID 116961134
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845
2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile
CID 116960620
2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116957574
ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
CID 116961364
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116949089
2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
CID 116830565
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one
CID 116955940

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol (CID 116957579) is 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol is CNC(c1ccc(C)c(C)c1C)C(N)CO.
What is the InChIKey of 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol?
The InChIKey is FAQDKXMAQOPJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8-5-6-11(10(3)9(8)2)13(15-4)12(14)7-16/h5-6,12-13,15-16H,7,14H2,1-4H3.
What are the key properties of 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol?
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 116957579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).