2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine

C15H23ClN2O2 — CID 79182378

IUPAC2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCCN1CCOC(COc2ccc(Cl)cc2CCN)C1
InChIInChI=1S/C15H23ClN2O2/c1-2-18-7-8-19-14(10-18)11-20-15-4-3-13(16)9-12(15)5-6-17/h3-4,9,14H,2,5-8,10-11,17H2,1H3
InChIKeyHLABEKCRGMGSCQ-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.94
Rot. Bonds6

About 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine

2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine (PubChem CID 79182378) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
PubChem CID79182378
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCCN1CCOC(COc2ccc(Cl)cc2CCN)C1
InChIInChI=1S/C15H23ClN2O2/c1-2-18-7-8-19-14(10-18)11-20-15-4-3-13(16)9-12(15)5-6-17/h3-4,9,14H,2,5-8,10-11,17H2,1H3
InChIKeyHLABEKCRGMGSCQ-UHFFFAOYSA-N
XLogP1.94
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692794
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
1-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 79165518
2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107700549
[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride
CID 154887461
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191
2-[3,5-dichloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182988

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine (CID 79182378) is 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine is CCN1CCOC(COc2ccc(Cl)cc2CCN)C1.
What is the InChIKey of 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is HLABEKCRGMGSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-2-18-7-8-19-14(10-18)11-20-15-4-3-13(16)9-12(15)5-6-17/h3-4,9,14H,2,5-8,10-11,17H2,1H3.
What are the key properties of 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine?
2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 298.81 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79182378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).