2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol

C12H20N2O — CID 104552414

IUPAC2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol
SMILESCC(N)c1ccc(N(C)C(C)CO)cc1
InChIInChI=1S/C12H20N2O/c1-9(8-15)14(3)12-6-4-11(5-7-12)10(2)13/h4-7,9-10,15H,8,13H2,1-3H3
InChIKeyAZPXQVVXNMRSKY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol

2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol (PubChem CID 104552414) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol
PubChem CID104552414
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol
SMILESCC(N)c1ccc(N(C)C(C)CO)cc1
InChIInChI=1S/C12H20N2O/c1-9(8-15)14(3)12-6-4-11(5-7-12)10(2)13/h4-7,9-10,15H,8,13H2,1-3H3
InChIKeyAZPXQVVXNMRSKY-UHFFFAOYSA-N
XLogP1.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(1S)-1-aminoethyl]-N-methylanilino]butanenitrile
CID 63369284
3-[4-(1-aminoethyl)-N-methylanilino]butanenitrile
CID 63223161
2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 104552403
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol
CID 55188530
4-[(1R)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 103955055
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
1-[4-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935182
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
N'-[4-(1-aminoethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63694558

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol?
The IUPAC name of 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol (CID 104552414) is 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol.
What is the SMILES notation for 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol?
The canonical SMILES for 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol is CC(N)c1ccc(N(C)C(C)CO)cc1.
What is the InChIKey of 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol?
The InChIKey is AZPXQVVXNMRSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(8-15)14(3)12-6-4-11(5-7-12)10(2)13/h4-7,9-10,15H,8,13H2,1-3H3.
What are the key properties of 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol?
2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol is sourced from PubChem (CID 104552414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).