N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine

C22H22BrNO2 — CID 17208055

IUPACN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C22H22BrNO2/c1-25-21-10-6-5-9-18(21)14-24-15-19-13-20(23)11-12-22(19)26-16-17-7-3-2-4-8-17/h2-13,24H,14-16H2,1H3
InChIKeyUYMTWYOQNYZQLO-UHFFFAOYSA-N
MW412.33 g/mol
LogP5.33
Rot. Bonds8

About N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 17208055) has the molecular formula C22H22BrNO2 and a molecular weight of 412.33 g/mol. Its IUPAC name is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID17208055
Molecular FormulaC22H22BrNO2
Molecular Weight412.33 g/mol
Exact Mass411.08
IUPAC NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C22H22BrNO2/c1-25-21-10-6-5-9-18(21)14-24-15-19-13-20(23)11-12-22(19)26-16-17-7-3-2-4-8-17/h2-13,24H,14-16H2,1H3
InChIKeyUYMTWYOQNYZQLO-UHFFFAOYSA-N
XLogP5.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292844
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-phenylmethoxyphenyl)methanamine
CID 54855813
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]hexan-1-amine
CID 4716809
4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 45029997
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17289791
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 27155496
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine (CID 17208055) is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is UYMTWYOQNYZQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrNO2/c1-25-21-10-6-5-9-18(21)14-24-15-19-13-20(23)11-12-22(19)26-16-17-7-3-2-4-8-17/h2-13,24H,14-16H2,1H3.
What are the key properties of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine?
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 412.33 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 17208055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).