1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine

C17H20BrNO2 — CID 61400837

IUPAC1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
SMILESCCOc1cc(CNCc2cccc(Br)c2)ccc1OC
InChIInChI=1S/C17H20BrNO2/c1-3-21-17-10-14(7-8-16(17)20-2)12-19-11-13-5-4-6-15(18)9-13/h4-10,19H,3,11-12H2,1-2H3
InChIKeyOHNWLFJAPUYGRZ-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.15
Rot. Bonds7

About 1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine

1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine (PubChem CID 61400837) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
PubChem CID61400837
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
SMILESCCOc1cc(CNCc2cccc(Br)c2)ccc1OC
InChIInChI=1S/C17H20BrNO2/c1-3-21-17-10-14(7-8-16(17)20-2)12-19-11-13-5-4-6-15(18)9-13/h4-10,19H,3,11-12H2,1-2H3
InChIKeyOHNWLFJAPUYGRZ-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

N-[(3-bromophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 43729850
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882964
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305644

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine (CID 61400837) is 1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine is CCOc1cc(CNCc2cccc(Br)c2)ccc1OC.
What is the InChIKey of 1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine?
The InChIKey is OHNWLFJAPUYGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-3-21-17-10-14(7-8-16(17)20-2)12-19-11-13-5-4-6-15(18)9-13/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine?
1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine 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-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 61400837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).