1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine

C14H13BrClFN2 — CID 107527882

IUPAC1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)ccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H13BrClFN2/c15-11-4-2-1-3-10(11)14(8-18)19-13-7-9(17)5-6-12(13)16/h1-7,14,19H,8,18H2
InChIKeyKVBZEFBDGLGGRW-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine

1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine (PubChem CID 107527882) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
PubChem CID107527882
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)ccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H13BrClFN2/c15-11-4-2-1-3-10(11)14(8-18)19-13-7-9(17)5-6-12(13)16/h1-7,14,19H,8,18H2
InChIKeyKVBZEFBDGLGGRW-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107527797
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 107527871
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 107527972
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125
1-(2,5-difluorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377111
N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 107364606
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 65383417

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine (CID 107527882) is 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine is NCC(Nc1cc(F)ccc1Cl)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine?
The InChIKey is KVBZEFBDGLGGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c15-11-4-2-1-3-10(11)14(8-18)19-13-7-9(17)5-6-12(13)16/h1-7,14,19H,8,18H2.
What are the key properties of 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine?
1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine has a molecular weight of 343.63 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107527882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).