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

C18H22BrNO — CID 82803891

IUPAC1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCc1cccc(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C18H22BrNO/c1-3-17(20)18(15-9-7-13(2)8-10-15)21-12-14-5-4-6-16(19)11-14/h4-11,17-18H,3,12,20H2,1-2H3
InChIKeyMFDXZZNTFQVZCU-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.75
Rot. Bonds6

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

1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine (PubChem CID 82803891) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine
PubChem CID82803891
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCc1cccc(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C18H22BrNO/c1-3-17(20)18(15-9-7-13(2)8-10-15)21-12-14-5-4-6-16(19)11-14/h4-11,17-18H,3,12,20H2,1-2H3
InChIKeyMFDXZZNTFQVZCU-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-(2-methylphenyl)butan-2-amine
CID 82804119
1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
CID 82828472
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-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine
CID 65124629
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine
CID 82804123
1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 55233645
ethyl 2-[(3-bromophenyl)methoxy]propanoate
CID 82827861
1-(3-bromophenyl)-1-octoxybutan-2-amine
CID 63459741
(3-bromophenyl)methyl (2R)-2-aminobutanoate
CID 82823732
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine (CID 82803891) is 1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine is CCC(N)C(OCc1cccc(Br)c1)c1ccc(C)cc1.
What is the InChIKey of 1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine?
The InChIKey is MFDXZZNTFQVZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-17(20)18(15-9-7-13(2)8-10-15)21-12-14-5-4-6-16(19)11-14/h4-11,17-18H,3,12,20H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine?
1-[(3-bromophenyl)methoxy]-1-(4-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-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 82803891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).