4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine

C19H28ClNO2 — CID 170870509

IUPAC4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine
SMILESCc1cc(OCC2CC2)c(CCCN2CCOCC2)c(C)c1Cl
InChIInChI=1S/C19H28ClNO2/c1-14-12-18(23-13-16-5-6-16)17(15(2)19(14)20)4-3-7-21-8-10-22-11-9-21/h12,16H,3-11,13H2,1-2H3
InChIKeyOICXFBSJSNQUSC-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.01
Rot. Bonds7

About 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine

4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine (PubChem CID 170870509) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine
PubChem CID170870509
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Name4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine
SMILESCc1cc(OCC2CC2)c(CCCN2CCOCC2)c(C)c1Cl
InChIInChI=1S/C19H28ClNO2/c1-14-12-18(23-13-16-5-6-16)17(15(2)19(14)20)4-3-7-21-8-10-22-11-9-21/h12,16H,3-11,13H2,1-2H3
InChIKeyOICXFBSJSNQUSC-UHFFFAOYSA-N
XLogP4.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine 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-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352
1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine
CID 170894962
4-[3-(2-ethoxynaphthalen-1-yl)propyl]morpholine
CID 170869209
6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 170871362
1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
CID 170863792
5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol
CID 170869328
4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
CID 177027735
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine (CID 170870509) is 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine is Cc1cc(OCC2CC2)c(CCCN2CCOCC2)c(C)c1Cl.
What is the InChIKey of 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine?
The InChIKey is OICXFBSJSNQUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO2/c1-14-12-18(23-13-16-5-6-16)17(15(2)19(14)20)4-3-7-21-8-10-22-11-9-21/h12,16H,3-11,13H2,1-2H3.
What are the key properties of 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine?
4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine has a molecular weight of 337.89 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine is sourced from PubChem (CID 170870509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).