4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine

C11H17FN2 — CID 162381619

IUPAC4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine
SMILESCCc1cc(N)c(NC(C)C)cc1F
InChIInChI=1S/C11H17FN2/c1-4-8-5-10(13)11(6-9(8)12)14-7(2)3/h5-7,14H,4,13H2,1-3H3
InChIKeyLNGJQHPBHZRYNK-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.79
Rot. Bonds3

About 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine

4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine (PubChem CID 162381619) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine
PubChem CID162381619
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine
SMILESCCc1cc(N)c(NC(C)C)cc1F
InChIInChI=1S/C11H17FN2/c1-4-8-5-10(13)11(6-9(8)12)14-7(2)3/h5-7,14H,4,13H2,1-3H3
InChIKeyLNGJQHPBHZRYNK-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine
CID 134507065
4-bromo-1-N-(3-ethylpentan-2-yl)-5-fluorobenzene-1,2-diamine
CID 66112513
4-bromo-5-fluoro-1-N-(1-methylsulfonylpropan-2-yl)benzene-1,2-diamine
CID 66109775
4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 66099931
N,4-diethyl-5-fluoro-2-methylaniline
CID 144881437
5-amino-4-(1-ethylsulfanylpropan-2-ylamino)-2-fluorobenzoic acid
CID 113498932
2-cyclopropyloxy-5-ethyl-4-fluoroaniline
CID 161010618
1-(bromomethyl)-5-ethyl-2,4-difluorobenzene
CID 148681980
2-(2-amino-4-bromo-5-fluoroanilino)-3-methylbutan-1-ol
CID 79248505
(2S)-2-(2-amino-4-bromo-5-fluoroanilino)-3-methylbutan-1-ol
CID 79247969
2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
CID 66099680
5-amino-2-fluoro-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 113394224

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine (CID 162381619) is 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine is CCc1cc(N)c(NC(C)C)cc1F.
What is the InChIKey of 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine?
The InChIKey is LNGJQHPBHZRYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-4-8-5-10(13)11(6-9(8)12)14-7(2)3/h5-7,14H,4,13H2,1-3H3.
What are the key properties of 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine?
4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 162381619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).