5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol

C20H25BrFNO3 — CID 66535944

IUPAC5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol
SMILESCOc1ccc(Br)c(CNCCCCCO)c1OCc1ccc(F)cc1
InChIInChI=1S/C20H25BrFNO3/c1-25-19-10-9-18(21)17(13-23-11-3-2-4-12-24)20(19)26-14-15-5-7-16(22)8-6-15/h5-10,23-24H,2-4,11-14H2,1H3
InChIKeyUPZPRGAKYMPGLD-UHFFFAOYSA-N
MW426.33 g/mol
LogP4.43
Rot. Bonds11

About 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol

5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol (PubChem CID 66535944) has the molecular formula C20H25BrFNO3 and a molecular weight of 426.33 g/mol. Its IUPAC name is 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol
PubChem CID66535944
Molecular FormulaC20H25BrFNO3
Molecular Weight426.33 g/mol
Exact Mass425.10
IUPAC Name5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol
SMILESCOc1ccc(Br)c(CNCCCCCO)c1OCc1ccc(F)cc1
InChIInChI=1S/C20H25BrFNO3/c1-25-19-10-9-18(21)17(13-23-11-3-2-4-12-24)20(19)26-14-15-5-7-16(22)8-6-15/h5-10,23-24H,2-4,11-14H2,1H3
InChIKeyUPZPRGAKYMPGLD-UHFFFAOYSA-N
XLogP4.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 54.43
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

4-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 66536445
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 66535896
4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 66536858
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66535859
2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol
CID 66536094
3-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-1-ol
CID 66537016
4-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 66536692
5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211553
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538646
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
CID 66538540
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535800
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535931

Frequently Asked Questions

What is the IUPAC name of 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol?
The IUPAC name of 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol (CID 66535944) is 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol?
The canonical SMILES for 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol is COc1ccc(Br)c(CNCCCCCO)c1OCc1ccc(F)cc1.
What is the InChIKey of 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol?
The InChIKey is UPZPRGAKYMPGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrFNO3/c1-25-19-10-9-18(21)17(13-23-11-3-2-4-12-24)20(19)26-14-15-5-7-16(22)8-6-15/h5-10,23-24H,2-4,11-14H2,1H3.
What are the key properties of 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol?
5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol has a molecular weight of 426.33 g/mol, XLogP of 4.43, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol is sourced from PubChem (CID 66535944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).