(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine

C14H21ClN2O — CID 63369544

IUPAC(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine
SMILESCCC1CN(c2ccc([C@@H](C)N)cc2Cl)CCO1
InChIInChI=1S/C14H21ClN2O/c1-3-12-9-17(6-7-18-12)14-5-4-11(10(2)16)8-13(14)15/h4-5,8,10,12H,3,6-7,9,16H2,1-2H3/t10-,12?/m1/s1
InChIKeyWCJTZYZMGZUWPR-RWANSRKNSA-N
MW268.79 g/mol
LogP2.97
Rot. Bonds3

About (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine

(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 63369544) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine
PubChem CID63369544
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine
SMILESCCC1CN(c2ccc([C@@H](C)N)cc2Cl)CCO1
InChIInChI=1S/C14H21ClN2O/c1-3-12-9-17(6-7-18-12)14-5-4-11(10(2)16)8-13(14)15/h4-5,8,10,12H,3,6-7,9,16H2,1-2H3/t10-,12?/m1/s1
InChIKeyWCJTZYZMGZUWPR-RWANSRKNSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
CID 81204298
(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939704
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
3,5-dichloro-4-(2-ethylmorpholin-4-yl)aniline
CID 106889970
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine
CID 63368334
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
4-[5-chloro-2-(chloromethyl)phenyl]-2-ethylmorpholine
CID 114846398

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine (CID 63369544) is (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine is CCC1CN(c2ccc([C@@H](C)N)cc2Cl)CCO1.
What is the InChIKey of (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is WCJTZYZMGZUWPR-RWANSRKNSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-12-9-17(6-7-18-12)14-5-4-11(10(2)16)8-13(14)15/h4-5,8,10,12H,3,6-7,9,16H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine?
(1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2-ethylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 63369544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).