1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine

C16H18BrNO2 — CID 66535502

IUPAC1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
SMILESCNCc1c(Br)ccc(OC)c1OCc1ccccc1
InChIInChI=1S/C16H18BrNO2/c1-18-10-13-14(17)8-9-15(19-2)16(13)20-11-12-6-4-3-5-7-12/h3-9,18H,10-11H2,1-2H3
InChIKeyOZMGTNRFBYFEDJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.76
Rot. Bonds6

About 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine

1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine (PubChem CID 66535502) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
PubChem CID66535502
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
SMILESCNCc1c(Br)ccc(OC)c1OCc1ccccc1
InChIInChI=1S/C16H18BrNO2/c1-18-10-13-14(17)8-9-15(19-2)16(13)20-11-12-6-4-3-5-7-12/h3-9,18H,10-11H2,1-2H3
InChIKeyOZMGTNRFBYFEDJ-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine
CID 66535464
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 66536017
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-chloroaniline
CID 66543149
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-3,5-dichloroaniline
CID 66543309
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538646
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66535478
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543392
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 66535896
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2,5-dichloroaniline
CID 66543312
3-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methylamino]-4-methoxybenzoic acid
CID 66543152
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 66543268
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 66542960

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine (CID 66535502) is 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine is CNCc1c(Br)ccc(OC)c1OCc1ccccc1.
What is the InChIKey of 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine?
The InChIKey is OZMGTNRFBYFEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-18-10-13-14(17)8-9-15(19-2)16(13)20-11-12-6-4-3-5-7-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine?
1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 66535502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).