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

C19H24ClNO — CID 3045406

IUPAC2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)OC(C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17/h5-13,15H,14H2,1-4H3
InChIKeyWILANEPAIMJUCP-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.57
Rot. Bonds6

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

2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine (PubChem CID 3045406) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine
PubChem CID3045406
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)OC(C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17/h5-13,15H,14H2,1-4H3
InChIKeyWILANEPAIMJUCP-UHFFFAOYSA-N
XLogP4.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.57
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
Chlorphenoxamine
CID 6475
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine (CID 3045406) is 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine is CC(CN(C)C)OC(C)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is WILANEPAIMJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17/h5-13,15H,14H2,1-4H3.
What are the key properties of 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine?
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 317.86 g/mol, XLogP of 4.57, 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-dimethylpropan-1-amine is sourced from PubChem (CID 3045406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).