1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine

C19H29ClN2O — CID 57187564

IUPAC1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine
SMILESCC(C)CC=C(C=Cc1ccc(Cl)cc1)NOCCCN(C)C
InChIInChI=1S/C19H29ClN2O/c1-16(2)6-12-19(21-23-15-5-14-22(3)4)13-9-17-7-10-18(20)11-8-17/h7-13,16,21H,5-6,14-15H2,1-4H3
InChIKeyAIDOGDNYXXCRJL-UHFFFAOYSA-N
MW336.91 g/mol
LogP4.76
Rot. Bonds10

About 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine

1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine (PubChem CID 57187564) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine
PubChem CID57187564
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine
SMILESCC(C)CC=C(C=Cc1ccc(Cl)cc1)NOCCCN(C)C
InChIInChI=1S/C19H29ClN2O/c1-16(2)6-12-19(21-23-15-5-14-22(3)4)13-9-17-7-10-18(20)11-8-17/h7-13,16,21H,5-6,14-15H2,1-4H3
InChIKeyAIDOGDNYXXCRJL-UHFFFAOYSA-N
XLogP4.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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
N-[3-(dimethylamino)propoxy]-4-phenylbuta-1,3-dien-2-amine
CID 57007537
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
CID 57017294
1-(4-chlorophenyl)-6-methyl-N-(3-pyrrolidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57018728
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-(3,4-dichlorophenyl)ethenyl]-N-[3-(dimethylamino)propoxy]-3,3-dimethylcyclohexa-1,5-dien-1-amine
CID 57060596
5-[1-(4-chlorophenyl)ethenyl]-N-[2-(diethylamino)ethoxy]-3,3-dimethylcyclohexa-1,5-dien-1-amine
CID 57061223
7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine
CID 57063762

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine (CID 57187564) is 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine is CC(C)CC=C(C=Cc1ccc(Cl)cc1)NOCCCN(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine?
The InChIKey is AIDOGDNYXXCRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-16(2)6-12-19(21-23-15-5-14-22(3)4)13-9-17-7-10-18(20)11-8-17/h7-13,16,21H,5-6,14-15H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine?
1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine has a molecular weight of 336.91 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(dimethylamino)propoxy]-6-methylhepta-1,3-dien-3-amine is sourced from PubChem (CID 57187564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).