[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine

C13H18Cl2N2O — CID 114079708

IUPAC[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine
SMILESCC(c1cccc(Cl)c1Cl)N1CCOC(CN)C1
InChIInChI=1S/C13H18Cl2N2O/c1-9(11-3-2-4-12(14)13(11)15)17-5-6-18-10(7-16)8-17/h2-4,9-10H,5-8,16H2,1H3
InChIKeyUQYRGNLVYZQOQP-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.71
Rot. Bonds3

About [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine

[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine (PubChem CID 114079708) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine
PubChem CID114079708
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine
SMILESCC(c1cccc(Cl)c1Cl)N1CCOC(CN)C1
InChIInChI=1S/C13H18Cl2N2O/c1-9(11-3-2-4-12(14)13(11)15)17-5-6-18-10(7-16)8-17/h2-4,9-10H,5-8,16H2,1H3
InChIKeyUQYRGNLVYZQOQP-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882
(2,3-dichlorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665565
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine
CID 114397830
2-[1-(2-ethylmorpholin-4-yl)ethyl]phenol
CID 82976721
[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride
CID 85086626
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79662870
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
[4-[2-amino-1-(2-chlorophenyl)butyl]morpholin-2-yl]methanol
CID 81206374
2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16788536
2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433750
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine (CID 114079708) is [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine is CC(c1cccc(Cl)c1Cl)N1CCOC(CN)C1.
What is the InChIKey of [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine?
The InChIKey is UQYRGNLVYZQOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(11-3-2-4-12(14)13(11)15)17-5-6-18-10(7-16)8-17/h2-4,9-10H,5-8,16H2,1H3.
What are the key properties of [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine?
[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine has a molecular weight of 289.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114079708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).