3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine

C15H23ClN2O — CID 54767408

IUPAC3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C15H23ClN2O/c1-17(2)8-7-15(18-9-11-19-12-10-18)13-3-5-14(16)6-4-13/h3-6,15H,7-12H2,1-2H3
InChIKeyZGHQVNYQNYKDCM-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.66
Rot. Bonds5

About 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine

3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 54767408) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID54767408
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C15H23ClN2O/c1-17(2)8-7-15(18-9-11-19-12-10-18)13-3-5-14(16)6-4-13/h3-6,15H,7-12H2,1-2H3
InChIKeyZGHQVNYQNYKDCM-UHFFFAOYSA-N
XLogP2.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxyzine
CID 3658
Hydroxyzine Hydrochloride
CID 91513
Etodroxizine
CID 63345
Hydroxyzine monohydrochloride
CID 71612
ML398
CID 72737723
2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanethione
CID 229985
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
(4-Chlorophenyl)(morpholino)methanethione
CID 684261
(S)-Hydroxyzine
CID 1548976
2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
4-[(4-Chlorophenyl)methyl]morpholine
CID 783204
4-[3-(4-Chlorophenyl)-4-methylpentyl]morpholine
CID 17583223

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine (CID 54767408) is 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine is CN(C)CCC(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is ZGHQVNYQNYKDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-17(2)8-7-15(18-9-11-19-12-10-18)13-3-5-14(16)6-4-13/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 282.81 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54767408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).