2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol

C14H24N2O2 — CID 115120488

IUPAC2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
SMILESCOc1cc(C)c(N(C)CC(N)CO)c(C)c1C
InChIInChI=1S/C14H24N2O2/c1-9-6-13(18-5)10(2)11(3)14(9)16(4)7-12(15)8-17/h6,12,17H,7-8,15H2,1-5H3
InChIKeyWYCBBVCSBUHJOC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.38
Rot. Bonds5

About 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol

2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol (PubChem CID 115120488) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
PubChem CID115120488
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
SMILESCOc1cc(C)c(N(C)CC(N)CO)c(C)c1C
InChIInChI=1S/C14H24N2O2/c1-9-6-13(18-5)10(2)11(3)14(9)16(4)7-12(15)8-17/h6,12,17H,7-8,15H2,1-5H3
InChIKeyWYCBBVCSBUHJOC-UHFFFAOYSA-N
XLogP1.38
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
2-amino-3-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylpropanamide
CID 115179793
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
CID 115236416
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol (CID 115120488) is 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol is COc1cc(C)c(N(C)CC(N)CO)c(C)c1C.
What is the InChIKey of 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol?
The InChIKey is WYCBBVCSBUHJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-6-13(18-5)10(2)11(3)14(9)16(4)7-12(15)8-17/h6,12,17H,7-8,15H2,1-5H3.
What are the key properties of 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol?
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol is sourced from PubChem (CID 115120488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).