2-(5-amino-N,2-dimethylanilino)propan-1-ol

C11H18N2O — CID 104551168

IUPAC2-(5-amino-N,2-dimethylanilino)propan-1-ol
SMILESCc1ccc(N)cc1N(C)C(C)CO
InChIInChI=1S/C11H18N2O/c1-8-4-5-10(12)6-11(8)13(3)9(2)7-14/h4-6,9,14H,7,12H2,1-3H3
InChIKeyLEUDDCGZWPNYOI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.39
Rot. Bonds3

About 2-(5-amino-N,2-dimethylanilino)propan-1-ol

2-(5-amino-N,2-dimethylanilino)propan-1-ol (PubChem CID 104551168) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(5-amino-N,2-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(5-amino-N,2-dimethylanilino)propan-1-ol
PubChem CID104551168
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(5-amino-N,2-dimethylanilino)propan-1-ol
SMILESCc1ccc(N)cc1N(C)C(C)CO
InChIInChI=1S/C11H18N2O/c1-8-4-5-10(12)6-11(8)13(3)9(2)7-14/h4-6,9,14H,7,12H2,1-3H3
InChIKeyLEUDDCGZWPNYOI-UHFFFAOYSA-N
XLogP1.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-N,2-dimethylanilino)propan-1-ol
CID 104551064
4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide
CID 104551127
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683
2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol
CID 113425931
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
4-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzaldehyde
CID 104552443
4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine
CID 107869155
4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590529
2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039939
3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine
CID 130512909
4-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
CID 62590706
4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide
CID 112657121

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-N,2-dimethylanilino)propan-1-ol?
The IUPAC name of 2-(5-amino-N,2-dimethylanilino)propan-1-ol (CID 104551168) is 2-(5-amino-N,2-dimethylanilino)propan-1-ol.
What is the SMILES notation for 2-(5-amino-N,2-dimethylanilino)propan-1-ol?
The canonical SMILES for 2-(5-amino-N,2-dimethylanilino)propan-1-ol is Cc1ccc(N)cc1N(C)C(C)CO.
What is the InChIKey of 2-(5-amino-N,2-dimethylanilino)propan-1-ol?
The InChIKey is LEUDDCGZWPNYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-4-5-10(12)6-11(8)13(3)9(2)7-14/h4-6,9,14H,7,12H2,1-3H3.
What are the key properties of 2-(5-amino-N,2-dimethylanilino)propan-1-ol?
2-(5-amino-N,2-dimethylanilino)propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-N,2-dimethylanilino)propan-1-ol is sourced from PubChem (CID 104551168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).