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

C15H22Cl2N2O — CID 54767240

IUPAC3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H22Cl2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)12-3-4-13(16)14(17)11-12/h3-4,11,15H,5-10H2,1-2H3
InChIKeyKEGBICCDHKITSP-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.32
Rot. Bonds5

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

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 54767240) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID54767240
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H22Cl2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)12-3-4-13(16)14(17)11-12/h3-4,11,15H,5-10H2,1-2H3
InChIKeyKEGBICCDHKITSP-UHFFFAOYSA-N
XLogP3.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 54767410
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(triazol-2-yl)propan-1-amine
CID 44540616
3-(3,4-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 72949692
2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine
CID 54766010
2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine
CID 54767909
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
2-(3,4-dichlorophenyl)-4-(dimethylamino)butanenitrile
CID 82089128
3-(3,4-dichlorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259260
4-[1-(3-chloro-4-fluorophenyl)-3-[(5-methoxycarbonyl-2-pyridinyl)methyl-sulfinoamino]propyl]morpholine
CID 175127012
3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528321
(3S)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189504
3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765503

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine (CID 54767240) is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine is CN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is KEGBICCDHKITSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)12-3-4-13(16)14(17)11-12/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 317.26 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54767240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).