2-(4-amino-N,2-dimethylanilino)propan-1-ol

C11H18N2O — CID 104551064

IUPAC2-(4-amino-N,2-dimethylanilino)propan-1-ol
SMILESCc1cc(N)ccc1N(C)C(C)CO
InChIInChI=1S/C11H18N2O/c1-8-6-10(12)4-5-11(8)13(3)9(2)7-14/h4-6,9,14H,7,12H2,1-3H3
InChIKeyPYXNIBQZIKDLAJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.39
Rot. Bonds3

About 2-(4-amino-N,2-dimethylanilino)propan-1-ol

2-(4-amino-N,2-dimethylanilino)propan-1-ol (PubChem CID 104551064) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(4-amino-N,2-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(4-amino-N,2-dimethylanilino)propan-1-ol
PubChem CID104551064
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(4-amino-N,2-dimethylanilino)propan-1-ol
SMILESCc1cc(N)ccc1N(C)C(C)CO
InChIInChI=1S/C11H18N2O/c1-8-6-10(12)4-5-11(8)13(3)9(2)7-14/h4-6,9,14H,7,12H2,1-3H3
InChIKeyPYXNIBQZIKDLAJ-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-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683
4-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzaldehyde
CID 104552443
2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol
CID 113425931
4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide
CID 104551127
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-diamine
CID 62979678
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536
2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488
4-[butan-2-yl(methyl)amino]-3-methylbenzenecarbothioamide
CID 60930184
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine
CID 131048042

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N,2-dimethylanilino)propan-1-ol?
The IUPAC name of 2-(4-amino-N,2-dimethylanilino)propan-1-ol (CID 104551064) is 2-(4-amino-N,2-dimethylanilino)propan-1-ol.
What is the SMILES notation for 2-(4-amino-N,2-dimethylanilino)propan-1-ol?
The canonical SMILES for 2-(4-amino-N,2-dimethylanilino)propan-1-ol is Cc1cc(N)ccc1N(C)C(C)CO.
What is the InChIKey of 2-(4-amino-N,2-dimethylanilino)propan-1-ol?
The InChIKey is PYXNIBQZIKDLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-6-10(12)4-5-11(8)13(3)9(2)7-14/h4-6,9,14H,7,12H2,1-3H3.
What are the key properties of 2-(4-amino-N,2-dimethylanilino)propan-1-ol?
2-(4-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-(4-amino-N,2-dimethylanilino)propan-1-ol is sourced from PubChem (CID 104551064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).