2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol

C12H20N2O3 — CID 115120337

IUPAC2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
SMILESCOc1cc(C)c(NCC(N)CO)c(OC)c1
InChIInChI=1S/C12H20N2O3/c1-8-4-10(16-2)5-11(17-3)12(8)14-6-9(13)7-15/h4-5,9,14-15H,6-7,13H2,1-3H3
InChIKeyCUXHKRDHGHOOFI-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.74
Rot. Bonds6

About 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol

2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol (PubChem CID 115120337) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
PubChem CID115120337
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
SMILESCOc1cc(C)c(NCC(N)CO)c(OC)c1
InChIInChI=1S/C12H20N2O3/c1-8-4-10(16-2)5-11(17-3)12(8)14-6-9(13)7-15/h4-5,9,14-15H,6-7,13H2,1-3H3
InChIKeyCUXHKRDHGHOOFI-UHFFFAOYSA-N
XLogP0.74
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol
CID 115250575
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
CID 115200420
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
CID 115120343
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120540
2-amino-3-(2,4-dimethoxy-6-methylanilino)-3-oxopropanoic acid
CID 115179144
2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol
CID 115120355
2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
CID 115120814
1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934957

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol (CID 115120337) is 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol is COc1cc(C)c(NCC(N)CO)c(OC)c1.
What is the InChIKey of 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol?
The InChIKey is CUXHKRDHGHOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-4-10(16-2)5-11(17-3)12(8)14-6-9(13)7-15/h4-5,9,14-15H,6-7,13H2,1-3H3.
What are the key properties of 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol?
2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol has a molecular weight of 240.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol is sourced from PubChem (CID 115120337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).