2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol

C20H26BrNO3 — CID 66536642

IUPAC2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1c(Br)ccc(OC)c1OCc1ccccc1C
InChIInChI=1S/C20H26BrNO3/c1-4-16(12-23)22-11-17-18(21)9-10-19(24-3)20(17)25-13-15-8-6-5-7-14(15)2/h5-10,16,22-23H,4,11-13H2,1-3H3
InChIKeyXKADSINJLBHGJE-UHFFFAOYSA-N
MW408.34 g/mol
LogP4.21
Rot. Bonds9

About 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol

2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 66536642) has the molecular formula C20H26BrNO3 and a molecular weight of 408.34 g/mol. Its IUPAC name is 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID66536642
Molecular FormulaC20H26BrNO3
Molecular Weight408.34 g/mol
Exact Mass407.11
IUPAC Name2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1c(Br)ccc(OC)c1OCc1ccccc1C
InChIInChI=1S/C20H26BrNO3/c1-4-16(12-23)22-11-17-18(21)9-10-19(24-3)20(17)25-13-15-8-6-5-7-14(15)2/h5-10,16,22-23H,4,11-13H2,1-3H3
InChIKeyXKADSINJLBHGJE-UHFFFAOYSA-N
XLogP4.21
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

4-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 66536692
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 66536671
(2R)-2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727233
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 66536633
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 66536655
(2R)-2-[[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51994305
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
CID 66536432
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66536702
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 4716004
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66543957
4-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]-3-methylbenzoic acid
CID 66544073
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006

Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 66536642) is 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol is CCC(CO)NCc1c(Br)ccc(OC)c1OCc1ccccc1C.
What is the InChIKey of 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is XKADSINJLBHGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrNO3/c1-4-16(12-23)22-11-17-18(21)9-10-19(24-3)20(17)25-13-15-8-6-5-7-14(15)2/h5-10,16,22-23H,4,11-13H2,1-3H3.
What are the key properties of 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol?
2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol has a molecular weight of 408.34 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 66536642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).