4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol

C14H13Br2NO2 — CID 107741447

IUPAC4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
SMILESNCc1cc(Br)c(OCc2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C14H13Br2NO2/c15-12-5-10(7-17)6-13(16)14(12)19-8-9-1-3-11(18)4-2-9/h1-6,18H,7-8,17H2
InChIKeyVBPDDAGPTWYURD-UHFFFAOYSA-N
MW387.07 g/mol
LogP3.95
Rot. Bonds4

About 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol

4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol (PubChem CID 107741447) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
PubChem CID107741447
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
SMILESNCc1cc(Br)c(OCc2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C14H13Br2NO2/c15-12-5-10(7-17)6-13(16)14(12)19-8-9-1-3-11(18)4-2-9/h1-6,18H,7-8,17H2
InChIKeyVBPDDAGPTWYURD-UHFFFAOYSA-N
XLogP3.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
CID 107745437
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 107741287
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886486
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
4-[(2-amino-6-bromophenoxy)methyl]phenol
CID 81499279
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
CID 107741577
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol?
The IUPAC name of 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol (CID 107741447) is 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol.
What is the SMILES notation for 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol?
The canonical SMILES for 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol is NCc1cc(Br)c(OCc2ccc(O)cc2)c(Br)c1.
What is the InChIKey of 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol?
The InChIKey is VBPDDAGPTWYURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c15-12-5-10(7-17)6-13(16)14(12)19-8-9-1-3-11(18)4-2-9/h1-6,18H,7-8,17H2.
What are the key properties of 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol?
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol has a molecular weight of 387.07 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol is sourced from PubChem (CID 107741447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).