1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine

C17H20BrNO2 — CID 60882964

IUPAC1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-3-20-17-10-13(11-19-2)7-8-16(17)21-12-14-5-4-6-15(18)9-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyXFVXFWCEBGIEIO-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.15
Rot. Bonds7

About 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine

1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine (PubChem CID 60882964) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
PubChem CID60882964
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-3-20-17-10-13(11-19-2)7-8-16(17)21-12-14-5-4-6-15(18)9-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyXFVXFWCEBGIEIO-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
CID 61400837
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine;dihydrochloride
CID 17055828
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891483
N-[(3-bromophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 43729850
1-(3-bromophenyl)-3-[(3,4-diethoxyphenyl)methyl]thiourea
CID 100667233
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine (CID 60882964) is 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine is CCOc1cc(CNC)ccc1OCc1cccc(Br)c1.
What is the InChIKey of 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine?
The InChIKey is XFVXFWCEBGIEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-3-20-17-10-13(11-19-2)7-8-16(17)21-12-14-5-4-6-15(18)9-14/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine?
1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 60882964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).