3-(naphthalen-1-ylmethyl)morpholine;hydrochloride

C15H18ClNO — CID 129319991

IUPAC3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
SMILESCl.c1ccc2c(CC3COCCN3)cccc2c1
InChIInChI=1S/C15H17NO.ClH/c1-2-7-15-12(4-1)5-3-6-13(15)10-14-11-17-9-8-16-14;/h1-7,14,16H,8-11H2;1H
InChIKeyPOECCJAQVXDGOU-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.79
Rot. Bonds2

About 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride

3-(naphthalen-1-ylmethyl)morpholine;hydrochloride (PubChem CID 129319991) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
PubChem CID129319991
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
SMILESCl.c1ccc2c(CC3COCCN3)cccc2c1
InChIInChI=1S/C15H17NO.ClH/c1-2-7-15-12(4-1)5-3-6-13(15)10-14-11-17-9-8-16-14;/h1-7,14,16H,8-11H2;1H
InChIKeyPOECCJAQVXDGOU-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride?
The IUPAC name of 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride (CID 129319991) is 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride is Cl.c1ccc2c(CC3COCCN3)cccc2c1.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride?
The InChIKey is POECCJAQVXDGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-2-7-15-12(4-1)5-3-6-13(15)10-14-11-17-9-8-16-14;/h1-7,14,16H,8-11H2;1H.
What are the key properties of 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride?
3-(naphthalen-1-ylmethyl)morpholine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)morpholine;hydrochloride is sourced from PubChem (CID 129319991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).