1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine

C21H31ClN2O2 — CID 57230357

IUPAC1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine
SMILESCC(C)CC=C(C=Cc1ccc(Cl)cc1)NOCCCN1CCOCC1
InChIInChI=1S/C21H31ClN2O2/c1-18(2)4-10-21(11-7-19-5-8-20(22)9-6-19)23-26-15-3-12-24-13-16-25-17-14-24/h5-11,18,23H,3-4,12-17H2,1-2H3
InChIKeyASZLFLUJEHLXEL-UHFFFAOYSA-N
MW378.94 g/mol
LogP4.53
Rot. Bonds10

About 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine

1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine (PubChem CID 57230357) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine
PubChem CID57230357
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC Name1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine
SMILESCC(C)CC=C(C=Cc1ccc(Cl)cc1)NOCCCN1CCOCC1
InChIInChI=1S/C21H31ClN2O2/c1-18(2)4-10-21(11-7-19-5-8-20(22)9-6-19)23-26-15-3-12-24-13-16-25-17-14-24/h5-11,18,23H,3-4,12-17H2,1-2H3
InChIKeyASZLFLUJEHLXEL-UHFFFAOYSA-N
XLogP4.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,E)-1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hept-1-en-3-imine
CID 18993372
6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56613448
6-[(4-chlorophenyl)methylidene]-N-[3-[di(propan-2-yl)amino]propoxy]cyclohexen-1-amine
CID 56620931
1-(4-chlorophenyl)-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 56976968
6-[(4-chlorophenyl)methylidene]-N-[2-[di(propan-2-yl)amino]ethoxy]-2-methylcyclohexen-1-amine
CID 56982194
2-butyl-6-[(4-chlorophenyl)methylidene]-N-[2-[(2R)-morpholin-2-yl]ethoxy]cyclohexen-1-amine
CID 56989812
1-(4-chlorophenyl)-6-methyl-N-(3-pyrrolidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57018728
(2S)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-(2-methylpropylamino)propan-2-ol
CID 57028505
1-(4-chlorophenyl)-N-[2-(diethylamino)ethoxy]penta-1,3-dien-3-amine
CID 57037626
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]penta-1,3-dien-3-amine
CID 57038779
5-[1-(4-chlorophenyl)ethenyl]-N-[2-(diethylamino)ethoxy]-3,3-dimethylcyclohexa-1,5-dien-1-amine
CID 57061223
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethoxy)ethenamine
CID 57073351

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine (CID 57230357) is 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine is CC(C)CC=C(C=Cc1ccc(Cl)cc1)NOCCCN1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine?
The InChIKey is ASZLFLUJEHLXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O2/c1-18(2)4-10-21(11-7-19-5-8-20(22)9-6-19)23-26-15-3-12-24-13-16-25-17-14-24/h5-11,18,23H,3-4,12-17H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine?
1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine has a molecular weight of 378.94 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-N-(3-morpholin-4-ylpropoxy)hepta-1,3-dien-3-amine is sourced from PubChem (CID 57230357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).