[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine

C16H18BrNO2 — CID 60878481

IUPAC[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-9H,2,10-11,18H2,1H3
InChIKeyUAWGMGYBHASFOT-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.89
Rot. Bonds6

About [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine

[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine (PubChem CID 60878481) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
PubChem CID60878481
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-9H,2,10-11,18H2,1H3
InChIKeyUAWGMGYBHASFOT-UHFFFAOYSA-N
XLogP3.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromophenyl)methoxy]-3-ethoxybenzonitrile
CID 22681511
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
CID 60879995
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
CID 43324667
4-(bromomethyl)-2-ethoxy-1-[(4-iodophenyl)methoxy]benzene
CID 65479456
2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxybenzaldehyde
CID 21211263
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine?
The IUPAC name of [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine (CID 60878481) is [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine.
What is the SMILES notation for [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine?
The canonical SMILES for [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine is CCOc1cc(CN)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine?
The InChIKey is UAWGMGYBHASFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-9H,2,10-11,18H2,1H3.
What are the key properties of [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine?
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine has a molecular weight of 336.23 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine is sourced from PubChem (CID 60878481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).