N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline

C25H27BrN2O3 — CID 66543268

IUPACN-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCOc1ccc(Br)c(CNc2ccc(N3CCOCC3)cc2)c1OCc1ccccc1
InChIInChI=1S/C25H27BrN2O3/c1-29-24-12-11-23(26)22(25(24)31-18-19-5-3-2-4-6-19)17-27-20-7-9-21(10-8-20)28-13-15-30-16-14-28/h2-12,27H,13-18H2,1H3
InChIKeyNXGGMKWLKSSTAN-UHFFFAOYSA-N
MW483.41 g/mol
LogP5.49
Rot. Bonds8

About N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline

N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline (PubChem CID 66543268) has the molecular formula C25H27BrN2O3 and a molecular weight of 483.41 g/mol. Its IUPAC name is N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline
PubChem CID66543268
Molecular FormulaC25H27BrN2O3
Molecular Weight483.41 g/mol
Exact Mass482.12
IUPAC NameN-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCOc1ccc(Br)c(CNc2ccc(N3CCOCC3)cc2)c1OCc1ccccc1
InChIInChI=1S/C25H27BrN2O3/c1-29-24-12-11-23(26)22(25(24)31-18-19-5-3-2-4-6-19)17-27-20-7-9-21(10-8-20)28-13-15-30-16-14-28/h2-12,27H,13-18H2,1H3
InChIKeyNXGGMKWLKSSTAN-UHFFFAOYSA-N
XLogP5.49
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 55.49
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-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 66543514
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-morpholin-4-ylaniline
CID 66543864
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-chloroaniline
CID 66543149
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-3,5-dichloroaniline
CID 66543309
1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 66535502
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-chloro-4-morpholin-4-ylaniline
CID 66543495
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 66536017
N-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methoxyaniline
CID 66543394
3-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methylamino]-4-methoxybenzoic acid
CID 66543152
4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzoic acid
CID 66543621
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543392
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66538545

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline (CID 66543268) is N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline is COc1ccc(Br)c(CNc2ccc(N3CCOCC3)cc2)c1OCc1ccccc1.
What is the InChIKey of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is NXGGMKWLKSSTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O3/c1-29-24-12-11-23(26)22(25(24)31-18-19-5-3-2-4-6-19)17-27-20-7-9-21(10-8-20)28-13-15-30-16-14-28/h2-12,27H,13-18H2,1H3.
What are the key properties of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline?
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 483.41 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 66543268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).