3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine

C14H17Cl2NO — CID 113462311

IUPAC3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine
SMILESC/C(=C/c1ccc(Cl)c(Cl)c1)CC1COCCN1
InChIInChI=1S/C14H17Cl2NO/c1-10(7-12-9-18-5-4-17-12)6-11-2-3-13(15)14(16)8-11/h2-3,6,8,12,17H,4-5,7,9H2,1H3/b10-6-
InChIKeyGIUOCXJTLFFHEF-POHAHGRESA-N
MW286.20 g/mol
LogP3.78
Rot. Bonds3

About 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine

3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine (PubChem CID 113462311) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine.

Molecular Properties

Compound Name3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine
PubChem CID113462311
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine
SMILESC/C(=C/c1ccc(Cl)c(Cl)c1)CC1COCCN1
InChIInChI=1S/C14H17Cl2NO/c1-10(7-12-9-18-5-4-17-12)6-11-2-3-13(15)14(16)8-11/h2-3,6,8,12,17H,4-5,7,9H2,1H3/b10-6-
InChIKeyGIUOCXJTLFFHEF-POHAHGRESA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine
CID 102621780
3-[(Z)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462313
3-[(Z)-3-(4-fluoro-2-methylphenyl)-2-methylprop-2-enyl]morpholine
CID 114350103
3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine
CID 103019542
3-[2-methyl-4-(1-methylpyrazol-4-yl)but-2-enyl]morpholine
CID 103019540
3-[(Z)-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylprop-2-enyl]morpholine
CID 113462294
3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine
CID 104855441
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
CID 117034360
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172
3-(3,4-dichlorophenyl)-2-methylprop-2-enal
CID 79331938
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine?
The IUPAC name of 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine (CID 113462311) is 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine.
What is the SMILES notation for 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine?
The canonical SMILES for 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine is C/C(=C/c1ccc(Cl)c(Cl)c1)CC1COCCN1.
What is the InChIKey of 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine?
The InChIKey is GIUOCXJTLFFHEF-POHAHGRESA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-10(7-12-9-18-5-4-17-12)6-11-2-3-13(15)14(16)8-11/h2-3,6,8,12,17H,4-5,7,9H2,1H3/b10-6-.
What are the key properties of 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine?
3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine has a molecular weight of 286.20 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine is sourced from PubChem (CID 113462311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).