N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline

C20H25BrN2O3 — CID 66543514

IUPACN-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCCOc1c(OC)ccc(Br)c1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H25BrN2O3/c1-3-26-20-17(18(21)8-9-19(20)24-2)14-22-15-4-6-16(7-5-15)23-10-12-25-13-11-23/h4-9,22H,3,10-14H2,1-2H3
InChIKeyTXZQHWGWIWZQKT-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.31
Rot. Bonds7

About N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline

N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline (PubChem CID 66543514) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline
PubChem CID66543514
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC NameN-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCCOc1c(OC)ccc(Br)c1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H25BrN2O3/c1-3-26-20-17(18(21)8-9-19(20)24-2)14-22-15-4-6-16(7-5-15)23-10-12-25-13-11-23/h4-9,22H,3,10-14H2,1-2H3
InChIKeyTXZQHWGWIWZQKT-UHFFFAOYSA-N
XLogP4.31
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 66543268
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-morpholin-4-ylaniline
CID 66543864
N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline
CID 66543424
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-chloro-4-morpholin-4-ylaniline
CID 66543495
N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride
CID 163329675
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 6492077
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 66543626
N-[[2-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-4-morpholin-4-ylaniline
CID 66541145
N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 66537422
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-chloroaniline
CID 66543149
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
2-[2-[(6-bromo-2-ethoxy-3-methoxyphenyl)methylamino]ethylamino]ethanol
CID 66538981

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline (CID 66543514) is N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline is CCOc1c(OC)ccc(Br)c1CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is TXZQHWGWIWZQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-3-26-20-17(18(21)8-9-19(20)24-2)14-22-15-4-6-16(7-5-15)23-10-12-25-13-11-23/h4-9,22H,3,10-14H2,1-2H3.
What are the key properties of N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline?
N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 421.34 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 66543514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).