2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine

C17H20ClNO — CID 29152

IUPAC2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
InChIKeyCYTJSDVBPCRZFB-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.01
Rot. Bonds6

About 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine

2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine (PubChem CID 29152) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
PubChem CID29152
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
InChIKeyCYTJSDVBPCRZFB-UHFFFAOYSA-N
XLogP4.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium
CID 5051949
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743
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-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate
CID 57141444
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine (CID 29152) is 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine is CN(C)CCOC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The InChIKey is CYTJSDVBPCRZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine?
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 29152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).