1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine

C13H20BrFN2 — CID 114077689

IUPAC1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1cc(F)ccc1Br
InChIInChI=1S/C13H20BrFN2/c1-3-7-17(4-2)13(9-16)11-8-10(15)5-6-12(11)14/h5-6,8,13H,3-4,7,9,16H2,1-2H3
InChIKeyYQZNWCMECGMUPU-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.32
Rot. Bonds6

About 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine

1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine (PubChem CID 114077689) has the molecular formula C13H20BrFN2 and a molecular weight of 303.22 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine
PubChem CID114077689
Molecular FormulaC13H20BrFN2
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1cc(F)ccc1Br
InChIInChI=1S/C13H20BrFN2/c1-3-7-17(4-2)13(9-16)11-8-10(15)5-6-12(11)14/h5-6,8,13H,3-4,7,9,16H2,1-2H3
InChIKeyYQZNWCMECGMUPU-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 43268553
2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
CID 43268646
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 66157032
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
N-ethyl-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134123
1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 61440999
(1R)-1-(2-bromo-5-fluorophenyl)pentan-1-amine;hydrochloride
CID 171202646

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine (CID 114077689) is 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine is CCCN(CC)C(CN)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine?
The InChIKey is YQZNWCMECGMUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2/c1-3-7-17(4-2)13(9-16)11-8-10(15)5-6-12(11)14/h5-6,8,13H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine?
1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine has a molecular weight of 303.22 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 114077689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).