2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol

C14H24N2O — CID 104552910

IUPAC2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
SMILESCCNCc1ccc(N(C)C(C)CO)cc1C
InChIInChI=1S/C14H24N2O/c1-5-15-9-13-6-7-14(8-11(13)2)16(4)12(3)10-17/h6-8,12,15,17H,5,9-10H2,1-4H3
InChIKeyLLQAXTGATGXBTG-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.92
Rot. Bonds6

About 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol

2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol (PubChem CID 104552910) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
PubChem CID104552910
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
SMILESCCNCc1ccc(N(C)C(C)CO)cc1C
InChIInChI=1S/C14H24N2O/c1-5-15-9-13-6-7-14(8-11(13)2)16(4)12(3)10-17/h6-8,12,15,17H,5,9-10H2,1-4H3
InChIKeyLLQAXTGATGXBTG-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
CID 62134513
N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline
CID 63630730
2-[N-methyl-4-(propylaminomethyl)-3-(trifluoromethyl)anilino]propan-1-ol
CID 104552800
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62136544
4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
CID 62134512
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 62134332
N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline
CID 63553268
4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864840
2-[3-methyl-N-pentan-3-yl-4-[(propan-2-ylamino)methyl]anilino]ethanol
CID 62130474
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline
CID 62135055

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol?
The IUPAC name of 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol (CID 104552910) is 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol?
The canonical SMILES for 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol is CCNCc1ccc(N(C)C(C)CO)cc1C.
What is the InChIKey of 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol?
The InChIKey is LLQAXTGATGXBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-15-9-13-6-7-14(8-11(13)2)16(4)12(3)10-17/h6-8,12,15,17H,5,9-10H2,1-4H3.
What are the key properties of 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol?
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol is sourced from PubChem (CID 104552910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).