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

C17H20BrNO — CID 782861

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
SMILESCOc1ccc(Br)cc1CN(C)CCc1ccccc1
InChIInChI=1S/C17H20BrNO/c1-19(11-10-14-6-4-3-5-7-14)13-15-12-16(18)8-9-17(15)20-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyFEPWEMIHTXSWFY-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.13
Rot. Bonds6

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

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine (PubChem CID 782861) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
PubChem CID782861
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
SMILESCOc1ccc(Br)cc1CN(C)CCc1ccccc1
InChIInChI=1S/C17H20BrNO/c1-19(11-10-14-6-4-3-5-7-14)13-15-12-16(18)8-9-17(15)20-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyFEPWEMIHTXSWFY-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
methyl 4-[(5-bromo-2-methoxyphenyl)methyl-methylamino]butanoate
CID 62012294
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
4-[2-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl-methylamino]ethyl]phenol
CID 102275792
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 3299087
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 78995477
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 24594012
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 29416457
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
CID 54971591
3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65483308

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine (CID 782861) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine is COc1ccc(Br)cc1CN(C)CCc1ccccc1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine?
The InChIKey is FEPWEMIHTXSWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-19(11-10-14-6-4-3-5-7-14)13-15-12-16(18)8-9-17(15)20-2/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 782861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).