2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol

C17H31N3O — CID 102994161

IUPAC2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol
SMILESCCN(CC)CCCN(CC)c1ccc(C(C)N)c(O)c1
InChIInChI=1S/C17H31N3O/c1-5-19(6-2)11-8-12-20(7-3)15-9-10-16(14(4)18)17(21)13-15/h9-10,13-14,21H,5-8,11-12,18H2,1-4H3
InChIKeySRKLPRHXAVWDHV-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.97
Rot. Bonds9

About 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol

2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol (PubChem CID 102994161) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol
PubChem CID102994161
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol
SMILESCCN(CC)CCCN(CC)c1ccc(C(C)N)c(O)c1
InChIInChI=1S/C17H31N3O/c1-5-19(6-2)11-8-12-20(7-3)15-9-10-16(14(4)18)17(21)13-15/h9-10,13-14,21H,5-8,11-12,18H2,1-4H3
InChIKeySRKLPRHXAVWDHV-UHFFFAOYSA-N
XLogP2.97
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602
2-[(1S)-1-amino-3-methylbutyl]-5-(diethylamino)phenol
CID 171217383
2-[(1R)-1-amino-2,2-difluoroethyl]-5-(diethylamino)phenol;hydrochloride
CID 171238756
2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
CID 107200479
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
2-[(1S)-1-amino-3-fluoropropyl]-5-(diethylamino)phenol;hydrochloride
CID 171217392
1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
CID 102991273
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
CID 79604002
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
2-[(S)-amino(cyclohexyl)methyl]-5-(diethylamino)phenol;hydrochloride
CID 171217400
2-chloro-4-[3-(diethylamino)propyl-ethylamino]benzenecarbothioamide
CID 102993428

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol?
The IUPAC name of 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol (CID 102994161) is 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol is CCN(CC)CCCN(CC)c1ccc(C(C)N)c(O)c1.
What is the InChIKey of 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol?
The InChIKey is SRKLPRHXAVWDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-19(6-2)11-8-12-20(7-3)15-9-10-16(14(4)18)17(21)13-15/h9-10,13-14,21H,5-8,11-12,18H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol?
2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol has a molecular weight of 293.46 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol is sourced from PubChem (CID 102994161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).