N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine

C15H23ClN2O2 — CID 65021885

IUPACN-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCNCC1OCCN(C)C1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-4-17-10-14-15(18(2)7-8-20-14)11-5-6-13(19-3)12(16)9-11/h5-6,9,14-15,17H,4,7-8,10H2,1-3H3
InChIKeyUHFPKZVEXTXUIL-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.33
Rot. Bonds5

About N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine

N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine (PubChem CID 65021885) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
PubChem CID65021885
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCNCC1OCCN(C)C1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-4-17-10-14-15(18(2)7-8-20-14)11-5-6-13(19-3)12(16)9-11/h5-6,9,14-15,17H,4,7-8,10H2,1-3H3
InChIKeyUHFPKZVEXTXUIL-UHFFFAOYSA-N
XLogP2.33
TPSA33.73 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 66158580
N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 81160749
N-[[2-(3-chloro-4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
CID 65021457
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
N-[[3-(6-methoxy-3-pyridinyl)-4-methylmorpholin-2-yl]methyl]propan-1-amine
CID 114938569
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
CID 156561113
N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 115381375
5-[3-(ethylaminomethyl)-1-methylpyrrolidin-2-yl]-2-methoxybenzonitrile
CID 65336214
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 65021313
1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106818605
N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 79971167

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine (CID 65021885) is N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine is CCNCC1OCCN(C)C1c1ccc(OC)c(Cl)c1.
What is the InChIKey of N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The InChIKey is UHFPKZVEXTXUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-17-10-14-15(18(2)7-8-20-14)11-5-6-13(19-3)12(16)9-11/h5-6,9,14-15,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine has a molecular weight of 298.81 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine is sourced from PubChem (CID 65021885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).