6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine

C15H22ClN — CID 155617386

IUPAC6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine
SMILESCC(C)=CC(N)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-11(2)9-14(17)10-15(3,4)12-5-7-13(16)8-6-12/h5-9,14H,10,17H2,1-4H3
InChIKeyQTCGHICSWXNJCH-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.30
Rot. Bonds4

About 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine

6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine (PubChem CID 155617386) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine
PubChem CID155617386
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine
SMILESCC(C)=CC(N)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-11(2)9-14(17)10-15(3,4)12-5-7-13(16)8-6-12/h5-9,14H,10,17H2,1-4H3
InChIKeyQTCGHICSWXNJCH-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine (CID 155617386) is 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine is CC(C)=CC(N)CC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine?
The InChIKey is QTCGHICSWXNJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11(2)9-14(17)10-15(3,4)12-5-7-13(16)8-6-12/h5-9,14H,10,17H2,1-4H3.
What are the key properties of 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine?
6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine has a molecular weight of 251.80 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-amine is sourced from PubChem (CID 155617386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).