2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol

C13H22N2O — CID 117318753

IUPAC2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol
SMILESCCN(CC)Cc1ccc(C(O)CN)cc1
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)10-11-5-7-12(8-6-11)13(16)9-14/h5-8,13,16H,3-4,9-10,14H2,1-2H3
InChIKeyUXPZEYRWCDCWRA-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.52
Rot. Bonds6

About 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol

2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol (PubChem CID 117318753) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol
PubChem CID117318753
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol
SMILESCCN(CC)Cc1ccc(C(O)CN)cc1
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)10-11-5-7-12(8-6-11)13(16)9-14/h5-8,13,16H,3-4,9-10,14H2,1-2H3
InChIKeyUXPZEYRWCDCWRA-UHFFFAOYSA-N
XLogP1.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate
CID 117381834
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol
CID 43273373
2-amino-1-phenylethanol;ethane
CID 91425169
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid
CID 84748828
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 782609
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol (CID 117318753) is 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol is CCN(CC)Cc1ccc(C(O)CN)cc1.
What is the InChIKey of 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol?
The InChIKey is UXPZEYRWCDCWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15(4-2)10-11-5-7-12(8-6-11)13(16)9-14/h5-8,13,16H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol?
2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol has a molecular weight of 222.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol is sourced from PubChem (CID 117318753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).