2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol

C17H31N3O2 — CID 84754460

IUPAC2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
SMILESCCN(CCO)c1ccc(CNCCCN(C)C)cc1OC
InChIInChI=1S/C17H31N3O2/c1-5-20(11-12-21)16-8-7-15(13-17(16)22-4)14-18-9-6-10-19(2)3/h7-8,13,18,21H,5-6,9-12,14H2,1-4H3
InChIKeyHRSGECCJWZVWKY-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.56
Rot. Bonds11

About 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol

2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol (PubChem CID 84754460) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
PubChem CID84754460
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
SMILESCCN(CCO)c1ccc(CNCCCN(C)C)cc1OC
InChIInChI=1S/C17H31N3O2/c1-5-20(11-12-21)16-8-7-15(13-17(16)22-4)14-18-9-6-10-19(2)3/h7-8,13,18,21H,5-6,9-12,14H2,1-4H3
InChIKeyHRSGECCJWZVWKY-UHFFFAOYSA-N
XLogP1.56
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84754259
4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
CID 84754251
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
CID 84750420
3-[[4-[butyl(ethyl)amino]-3-methoxyphenyl]methylamino]propanoic acid
CID 84754298
2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
CID 84750416
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
4-[[3-(dimethylamino)propylamino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789509
2-[[4-[ethyl(2-hydroxyethyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750410
3-[N-ethyl-2-methoxy-4-(methylaminomethyl)anilino]propanoic acid
CID 84754729
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755
2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol
CID 84746090

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol?
The IUPAC name of 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol (CID 84754460) is 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol.
What is the SMILES notation for 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol?
The canonical SMILES for 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol is CCN(CCO)c1ccc(CNCCCN(C)C)cc1OC.
What is the InChIKey of 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol?
The InChIKey is HRSGECCJWZVWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-5-20(11-12-21)16-8-7-15(13-17(16)22-4)14-18-9-6-10-19(2)3/h7-8,13,18,21H,5-6,9-12,14H2,1-4H3.
What are the key properties of 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol?
2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol has a molecular weight of 309.45 g/mol, XLogP of 1.56, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol is sourced from PubChem (CID 84754460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).