1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine

C18H22BrNO — CID 82804119

IUPAC1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCc1cccc(Br)c1)c1ccccc1C
InChIInChI=1S/C18H22BrNO/c1-3-17(20)18(16-10-5-4-7-13(16)2)21-12-14-8-6-9-15(19)11-14/h4-11,17-18H,3,12,20H2,1-2H3
InChIKeyHJQTXAYZLCXRIJ-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.75
Rot. Bonds6

About 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine

1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine (PubChem CID 82804119) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine
PubChem CID82804119
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCc1cccc(Br)c1)c1ccccc1C
InChIInChI=1S/C18H22BrNO/c1-3-17(20)18(16-10-5-4-7-13(16)2)21-12-14-8-6-9-15(19)11-14/h4-11,17-18H,3,12,20H2,1-2H3
InChIKeyHJQTXAYZLCXRIJ-UHFFFAOYSA-N
XLogP4.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.75
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-[(3-bromophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 82827669
2-[(3-bromophenyl)methoxy]-1,1,1-trifluoropentan-3-amine
CID 82828727
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
CID 82828472
ethyl 2-[(3-bromophenyl)methoxy]propanoate
CID 82827861
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
(3-bromophenyl)methyl (2R)-2-aminobutanoate
CID 82823732
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
1-(2,5-dimethylphenoxy)-1-(2-methylphenyl)butan-2-amine
CID 63458600
1-(3-bromophenyl)-1-butan-2-yloxybutan-2-amine
CID 55017913
1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine (CID 82804119) is 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine is CCC(N)C(OCc1cccc(Br)c1)c1ccccc1C.
What is the InChIKey of 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine?
The InChIKey is HJQTXAYZLCXRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-17(20)18(16-10-5-4-7-13(16)2)21-12-14-8-6-9-15(19)11-14/h4-11,17-18H,3,12,20H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine?
1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methoxy]-1-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 82804119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).