2-(2-bromophenyl)-5-phenoxypentan-1-amine

C17H20BrNO — CID 79449306

IUPAC2-(2-bromophenyl)-5-phenoxypentan-1-amine
SMILESNCC(CCCOc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c18-17-11-5-4-10-16(17)14(13-19)7-6-12-20-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13,19H2
InChIKeyMZCXEBORVBOXKO-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.35
Rot. Bonds7

About 2-(2-bromophenyl)-5-phenoxypentan-1-amine

2-(2-bromophenyl)-5-phenoxypentan-1-amine (PubChem CID 79449306) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-phenoxypentan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-phenoxypentan-1-amine
PubChem CID79449306
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(2-bromophenyl)-5-phenoxypentan-1-amine
SMILESNCC(CCCOc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c18-17-11-5-4-10-16(17)14(13-19)7-6-12-20-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13,19H2
InChIKeyMZCXEBORVBOXKO-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
CID 79436772
1-bromo-2-(1-chloro-4-phenoxybutan-2-yl)benzene
CID 79454248
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
2-(2-bromophenyl)pentan-1-amine
CID 79449309
2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79449002
2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 112539075
4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138462
(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 81383584
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992
3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138453
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-phenoxypentan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-5-phenoxypentan-1-amine (CID 79449306) is 2-(2-bromophenyl)-5-phenoxypentan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-5-phenoxypentan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-5-phenoxypentan-1-amine is NCC(CCCOc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-5-phenoxypentan-1-amine?
The InChIKey is MZCXEBORVBOXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c18-17-11-5-4-10-16(17)14(13-19)7-6-12-20-15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13,19H2.
What are the key properties of 2-(2-bromophenyl)-5-phenoxypentan-1-amine?
2-(2-bromophenyl)-5-phenoxypentan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-phenoxypentan-1-amine is sourced from PubChem (CID 79449306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).