1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine

C10H14BrFN2 — CID 62066396

IUPAC1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1ccc(Br)cc1F
InChIInChI=1S/C10H14BrFN2/c1-2-14-10(6-13)8-4-3-7(11)5-9(8)12/h3-5,10,14H,2,6,13H2,1H3
InChIKeyPSBSCDFMHKHOBA-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.20
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine

1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine (PubChem CID 62066396) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
PubChem CID62066396
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1ccc(Br)cc1F
InChIInChI=1S/C10H14BrFN2/c1-2-14-10(6-13)8-4-3-7(11)5-9(8)12/h3-5,10,14H,2,6,13H2,1H3
InChIKeyPSBSCDFMHKHOBA-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 114906644
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 65384893
3-[2-(4-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 114906574
1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 114906530
1-(4-bromo-2-fluorophenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228390
2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
CID 82972669
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114906659
1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383822
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114906672
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine (CID 62066396) is 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine is CCNC(CN)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine?
The InChIKey is PSBSCDFMHKHOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c1-2-14-10(6-13)8-4-3-7(11)5-9(8)12/h3-5,10,14H,2,6,13H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine?
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine has a molecular weight of 261.14 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 62066396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).