N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine

C14H20Cl2N2O — CID 79093846

IUPACN-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)C1CN(C)CCO1
InChIInChI=1S/C14H20Cl2N2O/c1-3-17-14(12-9-18(2)7-8-19-12)10-5-4-6-11(15)13(10)16/h4-6,12,14,17H,3,7-9H2,1-2H3
InChIKeyWUVSOONWBQODNO-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.97
Rot. Bonds4

About N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine

N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine (PubChem CID 79093846) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine
PubChem CID79093846
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)C1CN(C)CCO1
InChIInChI=1S/C14H20Cl2N2O/c1-3-17-14(12-9-18(2)7-8-19-12)10-5-4-6-11(15)13(10)16/h4-6,12,14,17H,3,7-9H2,1-2H3
InChIKeyWUVSOONWBQODNO-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylmorpholin-2-yl)-naphthalen-1-ylmethyl]ethanamine
CID 79095140
N-[(4-methylmorpholin-2-yl)-quinolin-8-ylmethyl]ethanamine
CID 81229496
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093754
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79662870
N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657208
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657209
N-[3,4-dihydro-2H-pyran-5-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 113370614
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688442
N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 105395250
N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 65411327
1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546660

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine (CID 79093846) is N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine is CCNC(c1cccc(Cl)c1Cl)C1CN(C)CCO1.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is WUVSOONWBQODNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-17-14(12-9-18(2)7-8-19-12)10-5-4-6-11(15)13(10)16/h4-6,12,14,17H,3,7-9H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 303.23 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 79093846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).