4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine

C19H24F2N2 — CID 123353438

IUPAC4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine
SMILESCCNc1ccc(NCCc2ccc(C(C)C)cc2F)c(F)c1
InChIInChI=1S/C19H24F2N2/c1-4-22-16-7-8-19(18(21)12-16)23-10-9-14-5-6-15(13(2)3)11-17(14)20/h5-8,11-13,22-23H,4,9-10H2,1-3H3
InChIKeyBYJOHRQHGLKMRO-UHFFFAOYSA-N
MW318.41 g/mol
LogP5.17
Rot. Bonds7

About 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine

4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine (PubChem CID 123353438) has the molecular formula C19H24F2N2 and a molecular weight of 318.41 g/mol. Its IUPAC name is 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine
PubChem CID123353438
Molecular FormulaC19H24F2N2
Molecular Weight318.41 g/mol
Exact Mass318.19
IUPAC Name4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine
SMILESCCNc1ccc(NCCc2ccc(C(C)C)cc2F)c(F)c1
InChIInChI=1S/C19H24F2N2/c1-4-22-16-7-8-19(18(21)12-16)23-10-9-14-5-6-15(13(2)3)11-17(14)20/h5-8,11-13,22-23H,4,9-10H2,1-3H3
InChIKeyBYJOHRQHGLKMRO-UHFFFAOYSA-N
XLogP5.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-4-propan-2-ylaniline
CID 134414271
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
2-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-4-propan-2-ylaniline
CID 167911169
(2-fluoro-4-propan-2-ylphenyl)hydrazine;hydrochloride
CID 138473582
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile
CID 133302391
4-(ethylamino)-2-fluorophenol
CID 64793889
N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline
CID 144857612
N-ethyl-3-fluoro-4-piperazin-1-ylaniline
CID 70934986
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
4-propan-2-yl-1,2-dipropylbenzene
CID 123478662
5-propan-2-yl-2-(propylamino)benzenethiol
CID 170042950

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine (CID 123353438) is 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine is CCNc1ccc(NCCc2ccc(C(C)C)cc2F)c(F)c1.
What is the InChIKey of 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is BYJOHRQHGLKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2/c1-4-22-16-7-8-19(18(21)12-16)23-10-9-14-5-6-15(13(2)3)11-17(14)20/h5-8,11-13,22-23H,4,9-10H2,1-3H3.
What are the key properties of 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine?
4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 318.41 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 123353438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).