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

C16H17Br2NO — CID 82828472

IUPAC1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
SMILESCC(N)C(OCc1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17Br2NO/c1-11(19)16(13-5-7-14(17)8-6-13)20-10-12-3-2-4-15(18)9-12/h2-9,11,16H,10,19H2,1H3
InChIKeyYKFCNCPDBFGWMX-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.82
Rot. Bonds5

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

1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine (PubChem CID 82828472) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
PubChem CID82828472
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
SMILESCC(N)C(OCc1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17Br2NO/c1-11(19)16(13-5-7-14(17)8-6-13)20-10-12-3-2-4-15(18)9-12/h2-9,11,16H,10,19H2,1H3
InChIKeyYKFCNCPDBFGWMX-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine
CID 82803891
1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine
CID 82828548
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790
1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55018053
1-[(3-bromophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 82827669
1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine
CID 82804119
2-[(3-bromophenyl)methoxy]propanoic acid
CID 82828681
(2S)-2-[(3-bromophenyl)methoxy]propanoic acid
CID 104875834
ethyl 2-[(3-bromophenyl)methoxy]propanoate
CID 82827861
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283082
1-(4-bromophenyl)-1-heptoxypropan-2-amine
CID 63460089
1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
CID 82828300

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine (CID 82828472) is 1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine is CC(N)C(OCc1cccc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine?
The InChIKey is YKFCNCPDBFGWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-11(19)16(13-5-7-14(17)8-6-13)20-10-12-3-2-4-15(18)9-12/h2-9,11,16H,10,19H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine?
1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine has a molecular weight of 399.13 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine is sourced from PubChem (CID 82828472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).