1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine

C17H20BrNO2 — CID 60906800

IUPAC1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-12(19)10-14-4-3-5-16(20-2)17(14)21-11-13-6-8-15(18)9-7-13/h3-9,12H,10-11,19H2,1-2H3
InChIKeyRQCSJJIEROUENS-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.93
Rot. Bonds6

About 1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine

1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine (PubChem CID 60906800) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
PubChem CID60906800
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-12(19)10-14-4-3-5-16(20-2)17(14)21-11-13-6-8-15(18)9-7-13/h3-9,12H,10-11,19H2,1-2H3
InChIKeyRQCSJJIEROUENS-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

2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 60906463
1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79263428
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
CID 79173484
1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60908019

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine (CID 60906800) is 1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine is COc1cccc(CC(C)N)c1OCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine?
The InChIKey is RQCSJJIEROUENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12(19)10-14-4-3-5-16(20-2)17(14)21-11-13-6-8-15(18)9-7-13/h3-9,12H,10-11,19H2,1-2H3.
What are the key properties of 1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine?
1-[2-[(4-bromophenyl)methoxy]-3-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]-3-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 60906800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).