4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol

C19H23BrClNO3 — CID 66536858

IUPAC4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
SMILESCOc1ccc(Br)c(CNCCCCO)c1OCc1cccc(Cl)c1
InChIInChI=1S/C19H23BrClNO3/c1-24-18-8-7-17(20)16(12-22-9-2-3-10-23)19(18)25-13-14-5-4-6-15(21)11-14/h4-8,11,22-23H,2-3,9-10,12-13H2,1H3
InChIKeyHQFQKHQZSFMKPS-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.55
Rot. Bonds10

About 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol

4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol (PubChem CID 66536858) has the molecular formula C19H23BrClNO3 and a molecular weight of 428.75 g/mol. Its IUPAC name is 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
PubChem CID66536858
Molecular FormulaC19H23BrClNO3
Molecular Weight428.75 g/mol
Exact Mass427.05
IUPAC Name4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
SMILESCOc1ccc(Br)c(CNCCCCO)c1OCc1cccc(Cl)c1
InChIInChI=1S/C19H23BrClNO3/c1-24-18-8-7-17(20)16(12-22-9-2-3-10-23)19(18)25-13-14-5-4-6-15(21)11-14/h4-8,11,22-23H,2-3,9-10,12-13H2,1H3
InChIKeyHQFQKHQZSFMKPS-UHFFFAOYSA-N
XLogP4.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-1-ol
CID 66537016
N-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 66536874
5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol
CID 66535944
2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol
CID 66536094
N-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 66537104
4-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 66536692
4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzoic acid
CID 66543621
4-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 66536445
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 66536990
N-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 66536901
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538646
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538452

Frequently Asked Questions

What is the IUPAC name of 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The IUPAC name of 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol (CID 66536858) is 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol is COc1ccc(Br)c(CNCCCCO)c1OCc1cccc(Cl)c1.
What is the InChIKey of 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The InChIKey is HQFQKHQZSFMKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrClNO3/c1-24-18-8-7-17(20)16(12-22-9-2-3-10-23)19(18)25-13-14-5-4-6-15(21)11-14/h4-8,11,22-23H,2-3,9-10,12-13H2,1H3.
What are the key properties of 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol has a molecular weight of 428.75 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 66536858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).