7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine

C23H35ClN2O — CID 57063762

IUPAC7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine
SMILESCCCC1=C(NOCCN(CC)CC)C(=Cc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C23H35ClN2O/c1-4-9-20-10-7-8-11-21(18-19-12-14-22(24)15-13-19)23(20)25-27-17-16-26(5-2)6-3/h12-15,18,25H,4-11,16-17H2,1-3H3
InChIKeyNILGUYKRYKMHKQ-UHFFFAOYSA-N
MW391.00 g/mol
LogP6.21
Rot. Bonds10

About 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine

7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine (PubChem CID 57063762) has the molecular formula C23H35ClN2O and a molecular weight of 391.00 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine
PubChem CID57063762
Molecular FormulaC23H35ClN2O
Molecular Weight391.00 g/mol
Exact Mass390.24
IUPAC Name7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine
SMILESCCCC1=C(NOCCN(CC)CC)C(=Cc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C23H35ClN2O/c1-4-9-20-10-7-8-11-21(18-19-12-14-22(24)15-13-19)23(20)25-27-17-16-26(5-2)6-3/h12-15,18,25H,4-11,16-17H2,1-3H3
InChIKeyNILGUYKRYKMHKQ-UHFFFAOYSA-N
XLogP6.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.00
LogP ≤ 56.21
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'}

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Related Compounds

2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
CID 3046188
6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56613448
7-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohepten-1-amine
CID 56619636
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
1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine
CID 57002362
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
7-[chloro(phenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine
CID 57020288
5-[1-(2-chlorophenyl)ethenyl]-3,3-dimethyl-N-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-amine
CID 57033566
1-(4-chlorophenyl)-N-[2-(diethylamino)ethoxy]penta-1,3-dien-3-amine
CID 57037626

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine?
The IUPAC name of 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine (CID 57063762) is 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine.
What is the SMILES notation for 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine?
The canonical SMILES for 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine is CCCC1=C(NOCCN(CC)CC)C(=Cc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine?
The InChIKey is NILGUYKRYKMHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O/c1-4-9-20-10-7-8-11-21(18-19-12-14-22(24)15-13-19)23(20)25-27-17-16-26(5-2)6-3/h12-15,18,25H,4-11,16-17H2,1-3H3.
What are the key properties of 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine?
7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine has a molecular weight of 391.00 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methylidene]-N-[2-(diethylamino)ethoxy]-2-propylcyclohepten-1-amine is sourced from PubChem (CID 57063762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).