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

C17H20BrNO2 — CID 79429853

IUPAC2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
SMILESCOc1ccccc1OCCC(CN)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-20-16-4-2-3-5-17(16)21-11-10-14(12-19)13-6-8-15(18)9-7-13/h2-9,14H,10-12,19H2,1H3
InChIKeyXPJUICLPOAWNPK-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.97
Rot. Bonds7

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

2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine (PubChem CID 79429853) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
PubChem CID79429853
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
SMILESCOc1ccccc1OCCC(CN)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-20-16-4-2-3-5-17(16)21-11-10-14(12-19)13-6-8-15(18)9-7-13/h2-9,14H,10-12,19H2,1H3
InChIKeyXPJUICLPOAWNPK-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-(4-bromophenyl)-4-methoxybutan-1-amine
CID 79441671
4-(2-methoxyphenoxy)-2-(3-methylphenyl)butan-1-amine
CID 79422486
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138051
1-chloro-4-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]benzene
CID 79433395
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 82138492
2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 82137983
2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138370
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
2-(4-bromophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79441826

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine (CID 79429853) is 2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine is COc1ccccc1OCCC(CN)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine?
The InChIKey is XPJUICLPOAWNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-20-16-4-2-3-5-17(16)21-11-10-14(12-19)13-6-8-15(18)9-7-13/h2-9,14H,10-12,19H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine?
2-(4-bromophenyl)-4-(2-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-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine is sourced from PubChem (CID 79429853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).