[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine

C16H18BrNO3 — CID 60889253

IUPAC[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OC)c1OCc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO3/c1-19-14-7-12(9-18)8-15(20-2)16(14)21-10-11-4-3-5-13(17)6-11/h3-8H,9-10,18H2,1-2H3
InChIKeyKWKZFNFIPUGOCN-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.50
Rot. Bonds6

About [4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine

[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine (PubChem CID 60889253) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is [4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
PubChem CID60889253
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OC)c1OCc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO3/c1-19-14-7-12(9-18)8-15(20-2)16(14)21-10-11-4-3-5-13(17)6-11/h3-8H,9-10,18H2,1-2H3
InChIKeyKWKZFNFIPUGOCN-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

[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 28898339
3-[[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]methyl]benzonitrile
CID 60889843
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170867827
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
CID 79416158

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine?
The IUPAC name of [4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine (CID 60889253) is [4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine.
What is the SMILES notation for [4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine?
The canonical SMILES for [4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine is COc1cc(CN)cc(OC)c1OCc1cccc(Br)c1.
What is the InChIKey of [4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine?
The InChIKey is KWKZFNFIPUGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-19-14-7-12(9-18)8-15(20-2)16(14)21-10-11-4-3-5-13(17)6-11/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine?
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]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-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine is sourced from PubChem (CID 60889253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).