2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine

C15H23ClN2O2 — CID 65021919

IUPAC2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
SMILESCCC1COCCN1C(CN)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-3-12-10-20-7-6-18(12)14(9-17)11-4-5-15(19-2)13(16)8-11/h4-5,8,12,14H,3,6-7,9-10,17H2,1-2H3
InChIKeyYKCONTLJRNWARW-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.46
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine

2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine (PubChem CID 65021919) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
PubChem CID65021919
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
SMILESCCC1COCCN1C(CN)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-3-12-10-20-7-6-18(12)14(9-17)11-4-5-15(19-2)13(16)8-11/h4-5,8,12,14H,3,6-7,9-10,17H2,1-2H3
InChIKeyYKCONTLJRNWARW-UHFFFAOYSA-N
XLogP2.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
2-(3-ethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 43611864
2-(2,4-dimethoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 43611859
2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 43612940
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(3-chloro-4-methoxyphenyl)ethanamine
CID 65022016
2-(4-cyclopropylphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 79983720
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979881
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
2-(3-ethylmorpholin-4-yl)-2-pyridin-3-ylethanamine
CID 43612945
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
2-(3-ethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 43611843

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine (CID 65021919) is 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine is CCC1COCCN1C(CN)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
The InChIKey is YKCONTLJRNWARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-12-10-20-7-6-18(12)14(9-17)11-4-5-15(19-2)13(16)8-11/h4-5,8,12,14H,3,6-7,9-10,17H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine?
2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine has a molecular weight of 298.81 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 65021919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).