3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol

C17H22N2O — CID 106511324

IUPAC3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
SMILESCC(c1cccc(O)c1)N(CCN)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-14(16-8-5-9-17(20)12-16)19(11-10-18)13-15-6-3-2-4-7-15/h2-9,12,14,20H,10-11,13,18H2,1H3
InChIKeyMCCZZXCLVCDXMM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.91
Rot. Bonds6

About 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol

3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol (PubChem CID 106511324) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
PubChem CID106511324
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
SMILESCC(c1cccc(O)c1)N(CCN)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-14(16-8-5-9-17(20)12-16)19(11-10-18)13-15-6-3-2-4-7-15/h2-9,12,14,20H,10-11,13,18H2,1H3
InChIKeyMCCZZXCLVCDXMM-UHFFFAOYSA-N
XLogP2.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
CID 106511328
N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 106511322
N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 106511356
N'-benzyl-N'-[1-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 106511300
2-[benzyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
CID 84749245
N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
CID 106511255
2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile
CID 84757845
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid
CID 66857029
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol
CID 118204770

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol?
The IUPAC name of 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol (CID 106511324) is 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol?
The canonical SMILES for 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol is CC(c1cccc(O)c1)N(CCN)Cc1ccccc1.
What is the InChIKey of 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol?
The InChIKey is MCCZZXCLVCDXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14(16-8-5-9-17(20)12-16)19(11-10-18)13-15-6-3-2-4-7-15/h2-9,12,14,20H,10-11,13,18H2,1H3.
What are the key properties of 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol?
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol has a molecular weight of 270.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol is sourced from PubChem (CID 106511324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).