2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

C18H22ClNO — CID 6475

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IUPAC2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
InChIKeyKKHPNPMTPORSQE-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.18
Rot. Bonds6

About 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine (PubChem CID 6475) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
PubChem CID6475
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
InChIKeyKKHPNPMTPORSQE-UHFFFAOYSA-N
XLogP4.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenhydramine
CID 3100
Diphenhydramine Hydrochloride
CID 8980
Clemastine
CID 26987
Orphenadrine
CID 4601
Cloperastine
CID 2805
Orphenadrine Hydrochloride
CID 9568
Cloperastine Hydrochloride
CID 161104
Clofenetamine
CID 71812
2-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 2781
Chlorphenoxamine Hydrochloride
CID 11223
Emetonium iodide
CID 80084
Mecloxamine
CID 3045406

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine (CID 6475) is 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine is CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
The InChIKey is KKHPNPMTPORSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 6475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).