1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine

C17H20BrNO2 — CID 60906463

IUPAC1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(OCc2ccc(Br)cc2)c(CC(C)N)c1
InChIInChI=1S/C17H20BrNO2/c1-12(19)9-14-10-16(20-2)7-8-17(14)21-11-13-3-5-15(18)6-4-13/h3-8,10,12H,9,11,19H2,1-2H3
InChIKeyOHZKVHWTXONEFE-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.93
Rot. Bonds6

About 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine

1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine (PubChem CID 60906463) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
PubChem CID60906463
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(OCc2ccc(Br)cc2)c(CC(C)N)c1
InChIInChI=1S/C17H20BrNO2/c1-12(19)9-14-10-16(20-2)7-8-17(14)21-11-13-3-5-15(18)6-4-13/h3-8,10,12H,9,11,19H2,1-2H3
InChIKeyOHZKVHWTXONEFE-UHFFFAOYSA-N
XLogP3.93
TPSA44.48 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 107700785
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126118057
(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine
CID 65322330

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine (CID 60906463) is 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine is COc1ccc(OCc2ccc(Br)cc2)c(CC(C)N)c1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine?
The InChIKey is OHZKVHWTXONEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12(19)9-14-10-16(20-2)7-8-17(14)21-11-13-3-5-15(18)6-4-13/h3-8,10,12H,9,11,19H2,1-2H3.
What are the key properties of 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine?
1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine has a molecular weight of 350.26 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 60906463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).