4-[2-[benzyl(ethyl)amino]ethyl]phenol

C17H21NO — CID 82187934

IUPAC4-[2-[benzyl(ethyl)amino]ethyl]phenol
SMILESCCN(CCc1ccc(O)cc1)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-2-18(14-16-6-4-3-5-7-16)13-12-15-8-10-17(19)11-9-15/h3-11,19H,2,12-14H2,1H3
InChIKeyKDKVAZDBWNDJPO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.46
Rot. Bonds6

About 4-[2-[benzyl(ethyl)amino]ethyl]phenol

4-[2-[benzyl(ethyl)amino]ethyl]phenol (PubChem CID 82187934) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[2-[benzyl(ethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[benzyl(ethyl)amino]ethyl]phenol
PubChem CID82187934
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[2-[benzyl(ethyl)amino]ethyl]phenol
SMILESCCN(CCc1ccc(O)cc1)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-2-18(14-16-6-4-3-5-7-16)13-12-15-8-10-17(19)11-9-15/h3-11,19H,2,12-14H2,1H3
InChIKeyKDKVAZDBWNDJPO-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
CID 142099028
1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea
CID 57263501
1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide
CID 70412302
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide
CID 14901824
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol
CID 114263842
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(ethyl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[benzyl(ethyl)amino]ethyl]phenol (CID 82187934) is 4-[2-[benzyl(ethyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[benzyl(ethyl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[benzyl(ethyl)amino]ethyl]phenol is CCN(CCc1ccc(O)cc1)Cc1ccccc1.
What is the InChIKey of 4-[2-[benzyl(ethyl)amino]ethyl]phenol?
The InChIKey is KDKVAZDBWNDJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-18(14-16-6-4-3-5-7-16)13-12-15-8-10-17(19)11-9-15/h3-11,19H,2,12-14H2,1H3.
What are the key properties of 4-[2-[benzyl(ethyl)amino]ethyl]phenol?
4-[2-[benzyl(ethyl)amino]ethyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(ethyl)amino]ethyl]phenol is sourced from PubChem (CID 82187934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).