6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine

C16H22ClNO — CID 168947503

IUPAC6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine
SMILESC=CN(C)C(=C)CCCCOCc1cccc(Cl)c1
InChIInChI=1S/C16H22ClNO/c1-4-18(3)14(2)8-5-6-11-19-13-15-9-7-10-16(17)12-15/h4,7,9-10,12H,1-2,5-6,8,11,13H2,3H3
InChIKeyCQMHMHOUMRNLNE-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.62
Rot. Bonds9

About 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine

6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine (PubChem CID 168947503) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine
PubChem CID168947503
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine
SMILESC=CN(C)C(=C)CCCCOCc1cccc(Cl)c1
InChIInChI=1S/C16H22ClNO/c1-4-18(3)14(2)8-5-6-11-19-13-15-9-7-10-16(17)12-15/h4,7,9-10,12H,1-2,5-6,8,11,13H2,3H3
InChIKeyCQMHMHOUMRNLNE-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine (CID 168947503) is 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine is C=CN(C)C(=C)CCCCOCc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine?
The InChIKey is CQMHMHOUMRNLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-4-18(3)14(2)8-5-6-11-19-13-15-9-7-10-16(17)12-15/h4,7,9-10,12H,1-2,5-6,8,11,13H2,3H3.
What are the key properties of 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine?
6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine has a molecular weight of 279.81 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine is sourced from PubChem (CID 168947503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).