N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine

C16H25ClN2O3 — CID 17159763

IUPACN-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCCOc1c(CNCCN2CCOCC2)cc(Cl)cc1OC
InChIInChI=1S/C16H25ClN2O3/c1-3-22-16-13(10-14(17)11-15(16)20-2)12-18-4-5-19-6-8-21-9-7-19/h10-11,18H,3-9,12H2,1-2H3
InChIKeyYTCPAPUGEUBIEC-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.17
Rot. Bonds8

About N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine

N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 17159763) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID17159763
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCCOc1c(CNCCN2CCOCC2)cc(Cl)cc1OC
InChIInChI=1S/C16H25ClN2O3/c1-3-22-16-13(10-14(17)11-15(16)20-2)12-18-4-5-19-6-8-21-9-7-19/h10-11,18H,3-9,12H2,1-2H3
InChIKeyYTCPAPUGEUBIEC-UHFFFAOYSA-N
XLogP2.17
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473298
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]heptan-1-amine
CID 17157729
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 66538009
3-[(5-chloro-2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 102536589
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 17158093
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208325
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17294716
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17157902

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine (CID 17159763) is N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine is CCOc1c(CNCCN2CCOCC2)cc(Cl)cc1OC.
What is the InChIKey of N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is YTCPAPUGEUBIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-3-22-16-13(10-14(17)11-15(16)20-2)12-18-4-5-19-6-8-21-9-7-19/h10-11,18H,3-9,12H2,1-2H3.
What are the key properties of N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 328.84 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 17159763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).