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

C12H16Cl2NO2- — CID 53351457

IUPAC4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
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/p-1
InChIKeyPXPTZYJQESXHME-UHFFFAOYSA-M
MW277.17 g/mol
LogP-0.82
Rot. Bonds3

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

4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride (PubChem CID 53351457) has the molecular formula C12H16Cl2NO2- and a molecular weight of 277.17 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
PubChem CID53351457
Molecular FormulaC12H16Cl2NO2-
Molecular Weight277.17 g/mol
Exact Mass276.06
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
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/p-1
InChIKeyPXPTZYJQESXHME-UHFFFAOYSA-M
XLogP-0.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
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
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
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
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 chloride?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride (CID 53351457) is 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride is COc1ccc(Cl)cc1CN1CCOCC1.[Cl-].
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride?
The InChIKey is PXPTZYJQESXHME-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride?
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride has a molecular weight of 277.17 g/mol, XLogP of -0.82, 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 chloride is sourced from PubChem (CID 53351457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).