4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol

C17H21NO2 — CID 99923178

IUPAC4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
SMILESCN(C)CCO[C@@H](c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-18(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11,17,19H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyWLWQYQXJEKCLFY-KRWDZBQOSA-N
MW271.36 g/mol
LogP3.06
Rot. Bonds6

About 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol

4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol (PubChem CID 99923178) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
PubChem CID99923178
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
SMILESCN(C)CCO[C@@H](c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-18(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11,17,19H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyWLWQYQXJEKCLFY-KRWDZBQOSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365
2-benzhydryloxy-N,N-dimethylethanamine;(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 68940512

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol?
The IUPAC name of 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol (CID 99923178) is 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol.
What is the SMILES notation for 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol?
The canonical SMILES for 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol is CN(C)CCO[C@@H](c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol?
The InChIKey is WLWQYQXJEKCLFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11,17,19H,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol?
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol is sourced from PubChem (CID 99923178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).