N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine

C17H20BrNO2 — CID 105093219

IUPACN-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ccc1Br)c1ccccc1OC
InChIInChI=1S/C17H20BrNO2/c1-4-19-17(13-7-5-6-8-16(13)21-3)14-11-12(20-2)9-10-15(14)18/h5-11,17,19H,4H2,1-3H3
InChIKeyIDHCYZJADREMNB-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.17
Rot. Bonds6

About N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine

N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 105093219) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID105093219
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ccc1Br)c1ccccc1OC
InChIInChI=1S/C17H20BrNO2/c1-4-19-17(13-7-5-6-8-16(13)21-3)14-11-12(20-2)9-10-15(14)18/h5-11,17,19H,4H2,1-3H3
InChIKeyIDHCYZJADREMNB-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489510
N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092648
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(2-bromo-5-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105173796
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562053
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 105093219) is N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(OC)ccc1Br)c1ccccc1OC.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is IDHCYZJADREMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-19-17(13-7-5-6-8-16(13)21-3)14-11-12(20-2)9-10-15(14)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105093219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).