N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine

C17H20BrFN2 — CID 43126076

IUPACN-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)c1cc(Br)ccc1F
InChIInChI=1S/C17H20BrFN2/c1-2-21(12-13-6-4-3-5-7-13)17(11-20)15-10-14(18)8-9-16(15)19/h3-10,17H,2,11-12,20H2,1H3
InChIKeySXTZNQFRIRQXML-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.11
Rot. Bonds6

About N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine

N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine (PubChem CID 43126076) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
PubChem CID43126076
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC NameN-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)c1cc(Br)ccc1F
InChIInChI=1S/C17H20BrFN2/c1-2-21(12-13-6-4-3-5-7-13)17(11-20)15-10-14(18)8-9-16(15)19/h3-10,17H,2,11-12,20H2,1H3
InChIKeySXTZNQFRIRQXML-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 63472138
N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
CID 43126038
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273506
1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 61440999
1-(5-bromo-2-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 43540902
N,N-diethyl-1-(2,4,5-trifluorophenyl)ethane-1,2-diamine
CID 114058018
1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 114842813
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine (CID 43126076) is N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine is CCN(Cc1ccccc1)C(CN)c1cc(Br)ccc1F.
What is the InChIKey of N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine?
The InChIKey is SXTZNQFRIRQXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-2-21(12-13-6-4-3-5-7-13)17(11-20)15-10-14(18)8-9-16(15)19/h3-10,17H,2,11-12,20H2,1H3.
What are the key properties of N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine?
N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine has a molecular weight of 351.26 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 43126076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).