1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol

C17H22N2O2 — CID 61229094

IUPAC1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
SMILESCN(C)c1cccc(OCC(O)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H22N2O2/c1-19(2)15-4-3-5-16(10-15)21-12-17(20)14-8-6-13(11-18)7-9-14/h3-10,17,20H,11-12,18H2,1-2H3
InChIKeySYPLPYNIRNDUKQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.32
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol

1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol (PubChem CID 61229094) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
PubChem CID61229094
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
SMILESCN(C)c1cccc(OCC(O)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H22N2O2/c1-19(2)15-4-3-5-16(10-15)21-12-17(20)14-8-6-13(11-18)7-9-14/h3-10,17,20H,11-12,18H2,1-2H3
InChIKeySYPLPYNIRNDUKQ-UHFFFAOYSA-N
XLogP2.32
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
CID 43554706
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
2-[3-(dimethylamino)phenoxy]-1-(3-nitrophenyl)ethanol
CID 109415918
1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
CID 43531485
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
CID 102663561
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol
CID 64900161
2-phenoxy-1-(4-propylphenyl)ethanol
CID 54943234

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol (CID 61229094) is 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol is CN(C)c1cccc(OCC(O)c2ccc(CN)cc2)c1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol?
The InChIKey is SYPLPYNIRNDUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(2)15-4-3-5-16(10-15)21-12-17(20)14-8-6-13(11-18)7-9-14/h3-10,17,20H,11-12,18H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol?
1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol is sourced from PubChem (CID 61229094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).