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

C18H22BrNO — CID 82804123

IUPAC1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCc1ccccc1Br)c1cccc(C)c1
InChIInChI=1S/C18H22BrNO/c1-3-17(20)18(14-9-6-7-13(2)11-14)21-12-15-8-4-5-10-16(15)19/h4-11,17-18H,3,12,20H2,1-2H3
InChIKeyFFZKUWNNLHTAHR-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.75
Rot. Bonds6

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

1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine (PubChem CID 82804123) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine
PubChem CID82804123
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCc1ccccc1Br)c1cccc(C)c1
InChIInChI=1S/C18H22BrNO/c1-3-17(20)18(14-9-6-7-13(2)11-14)21-12-15-8-4-5-10-16(15)19/h4-11,17-18H,3,12,20H2,1-2H3
InChIKeyFFZKUWNNLHTAHR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 115941853
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine
CID 82803891
1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55020762
[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol
CID 63653949
1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine
CID 64745897
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine (CID 82804123) is 1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine is CCC(N)C(OCc1ccccc1Br)c1cccc(C)c1.
What is the InChIKey of 1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine?
The InChIKey is FFZKUWNNLHTAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-17(20)18(14-9-6-7-13(2)11-14)21-12-15-8-4-5-10-16(15)19/h4-11,17-18H,3,12,20H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine?
1-[(2-bromophenyl)methoxy]-1-(3-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-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 82804123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).