2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol

C11H18N2O2 — CID 104551156

IUPAC2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1cccc(N(C)C(C)CO)c1N
InChIInChI=1S/C11H18N2O2/c1-8(7-14)13(2)9-5-4-6-10(15-3)11(9)12/h4-6,8,14H,7,12H2,1-3H3
InChIKeyKWGHTEAAVWJHNM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.09
Rot. Bonds4

About 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol

2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol (PubChem CID 104551156) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol
PubChem CID104551156
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1cccc(N(C)C(C)CO)c1N
InChIInChI=1S/C11H18N2O2/c1-8(7-14)13(2)9-5-4-6-10(15-3)11(9)12/h4-6,8,14H,7,12H2,1-3H3
InChIKeyKWGHTEAAVWJHNM-UHFFFAOYSA-N
XLogP1.09
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 104552391
2-amino-3-[1-hydroxypropan-2-yl(methyl)amino]benzoic acid
CID 104553690
2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
CID 113388975
1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 113392602
2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline
CID 167071943
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 60788942
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
2,6-dimethoxyaniline;ethane
CID 145233133
3-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]butanenitrile
CID 113389009
1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine
CID 113392522
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol?
The IUPAC name of 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol (CID 104551156) is 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol.
What is the SMILES notation for 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol?
The canonical SMILES for 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol is COc1cccc(N(C)C(C)CO)c1N.
What is the InChIKey of 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol?
The InChIKey is KWGHTEAAVWJHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(7-14)13(2)9-5-4-6-10(15-3)11(9)12/h4-6,8,14H,7,12H2,1-3H3.
What are the key properties of 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol?
2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol is sourced from PubChem (CID 104551156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).