4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride

C12H17Cl2NO2 — CID 16682270

IUPAC4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
SMILESCOc1ccc(Cl)cc1CN1CCOCC1.Cl
InChIInChI=1S/C12H16ClNO2.ClH/c1-15-12-3-2-11(13)8-10(12)9-14-4-6-16-7-5-14;/h2-3,8H,4-7,9H2,1H3;1H
InChIKeyPXPTZYJQESXHME-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.60
Rot. Bonds3

About 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride

4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride (PubChem CID 16682270) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
PubChem CID16682270
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
SMILESCOc1ccc(Cl)cc1CN1CCOCC1.Cl
InChIInChI=1S/C12H16ClNO2.ClH/c1-15-12-3-2-11(13)8-10(12)9-14-4-6-16-7-5-14;/h2-3,8H,4-7,9H2,1H3;1H
InChIKeyPXPTZYJQESXHME-UHFFFAOYSA-N
XLogP2.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55409153
4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
CID 660603
4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride
CID 53313942
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 60958211
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117384193
1-(2-chloroethyl)-4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 63387973
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline
CID 3791654

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride (CID 16682270) is 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride is COc1ccc(Cl)cc1CN1CCOCC1.Cl.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride?
The InChIKey is PXPTZYJQESXHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2.ClH/c1-15-12-3-2-11(13)8-10(12)9-14-4-6-16-7-5-14;/h2-3,8H,4-7,9H2,1H3;1H.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride?
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride has a molecular weight of 278.18 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 16682270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).