[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine

C16H18BrNO3 — CID 22688741

IUPAC[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(Br)cc(OC)c1OCc1ccc(CN)cc1
InChIInChI=1S/C16H18BrNO3/c1-19-14-7-13(17)8-15(20-2)16(14)21-10-12-5-3-11(9-18)4-6-12/h3-8H,9-10,18H2,1-2H3
InChIKeyGFTHFOFRMSKYKE-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.50
Rot. Bonds6

About [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine

[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine (PubChem CID 22688741) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
PubChem CID22688741
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(Br)cc(OC)c1OCc1ccc(CN)cc1
InChIInChI=1S/C16H18BrNO3/c1-19-14-7-13(17)8-15(20-2)16(14)21-10-12-5-3-11(9-18)4-6-12/h3-8H,9-10,18H2,1-2H3
InChIKeyGFTHFOFRMSKYKE-UHFFFAOYSA-N
XLogP3.50
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001
5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
CID 146277743
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine (CID 22688741) is [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine is COc1cc(Br)cc(OC)c1OCc1ccc(CN)cc1.
What is the InChIKey of [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine?
The InChIKey is GFTHFOFRMSKYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-19-14-7-13(17)8-15(20-2)16(14)21-10-12-5-3-11(9-18)4-6-12/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine?
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine has a molecular weight of 352.23 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 22688741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).