2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine

C17H20BrNO — CID 79449002

IUPAC2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
SMILESCNCC(CCOc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c1-19-13-14(16-9-5-6-10-17(16)18)11-12-20-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3
InChIKeyBAUTZXKVSYVQBW-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.22
Rot. Bonds7

About 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine

2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine (PubChem CID 79449002) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
PubChem CID79449002
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
SMILESCNCC(CCOc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c1-19-13-14(16-9-5-6-10-17(16)18)11-12-20-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3
InChIKeyBAUTZXKVSYVQBW-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-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

2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79439067
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
1-bromo-2-(1-chloro-4-phenoxybutan-2-yl)benzene
CID 79454248
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
2-(2-bromophenyl)-5-phenoxypentan-1-amine
CID 79449306
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
CID 79436772
2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
CID 79430860
N-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62528721
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 81383584
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine (CID 79449002) is 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine is CNCC(CCOc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine?
The InChIKey is BAUTZXKVSYVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-19-13-14(16-9-5-6-10-17(16)18)11-12-20-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine?
2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine is sourced from PubChem (CID 79449002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).