2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine

C17H20BrNO2 — CID 79436772

IUPAC2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
SMILESCOc1ccc(OCCC(CN)c2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-20-14-6-8-15(9-7-14)21-11-10-13(12-19)16-4-2-3-5-17(16)18/h2-9,13H,10-12,19H2,1H3
InChIKeyMWUZIUQIDLHCCN-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.97
Rot. Bonds7

About 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine

2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine (PubChem CID 79436772) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
PubChem CID79436772
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
SMILESCOc1ccc(OCCC(CN)c2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-20-14-6-8-15(9-7-14)21-11-10-13(12-19)16-4-2-3-5-17(16)18/h2-9,13H,10-12,19H2,1H3
InChIKeyMWUZIUQIDLHCCN-UHFFFAOYSA-N
XLogP3.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-5-phenoxypentan-1-amine
CID 79449306
2-(2-bromophenyl)pentan-1-amine
CID 79449309
1-bromo-2-(1-chloro-4-phenoxybutan-2-yl)benzene
CID 79454248
2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79449002
2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine
CID 82138221
1-[1-chloro-4-(4-methoxyphenoxy)butan-2-yl]-2-methylbenzene
CID 79424449
1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene
CID 79438142
3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185350
1-bromo-2-[chloro-(4-methoxyphenyl)methyl]benzene
CID 63428732
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
CID 26004861
2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 112539075
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine (CID 79436772) is 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine is COc1ccc(OCCC(CN)c2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine?
The InChIKey is MWUZIUQIDLHCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-20-14-6-8-15(9-7-14)21-11-10-13(12-19)16-4-2-3-5-17(16)18/h2-9,13H,10-12,19H2,1H3.
What are the key properties of 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine?
2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine has a molecular weight of 350.26 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine is sourced from PubChem (CID 79436772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).