1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine

C16H18ClNO — CID 60888647

IUPAC1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc2ccccc2c1OC/C=C/Cl
InChIInChI=1S/C16H18ClNO/c1-12(18-2)14-9-8-13-6-3-4-7-15(13)16(14)19-11-5-10-17/h3-10,12,18H,11H2,1-2H3/b10-5+
InChIKeyHMESNKWNTMFTGZ-BJMVGYQFSA-N
MW275.78 g/mol
LogP4.25
Rot. Bonds5

About 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine

1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine (PubChem CID 60888647) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine
PubChem CID60888647
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc2ccccc2c1OC/C=C/Cl
InChIInChI=1S/C16H18ClNO/c1-12(18-2)14-9-8-13-6-3-4-7-15(13)16(14)19-11-5-10-17/h3-10,12,18H,11H2,1-2H3/b10-5+
InChIKeyHMESNKWNTMFTGZ-BJMVGYQFSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine (CID 60888647) is 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine is CNC(C)c1ccc2ccccc2c1OC/C=C/Cl.
What is the InChIKey of 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine?
The InChIKey is HMESNKWNTMFTGZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(18-2)14-9-8-13-6-3-4-7-15(13)16(14)19-11-5-10-17/h3-10,12,18H,11H2,1-2H3/b10-5+.
What are the key properties of 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine?
1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine is sourced from PubChem (CID 60888647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).