1-N-butan-2-yl-4-fluorobenzene-1,3-diamine

C10H15FN2 — CID 79678033

IUPAC1-N-butan-2-yl-4-fluorobenzene-1,3-diamine
SMILESCCC(C)Nc1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2/c1-3-7(2)13-8-4-5-9(11)10(12)6-8/h4-7,13H,3,12H2,1-2H3
InChIKeyNWFAZPPFKFPZMV-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.62
Rot. Bonds3

About 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine

1-N-butan-2-yl-4-fluorobenzene-1,3-diamine (PubChem CID 79678033) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-4-fluorobenzene-1,3-diamine
PubChem CID79678033
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-N-butan-2-yl-4-fluorobenzene-1,3-diamine
SMILESCCC(C)Nc1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2/c1-3-7(2)13-8-4-5-9(11)10(12)6-8/h4-7,13H,3,12H2,1-2H3
InChIKeyNWFAZPPFKFPZMV-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.62
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

N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
4-(butan-2-ylamino)-2-fluorobenzenecarbothioamide
CID 115367722
3-N-butan-2-yl-4-fluorobenzene-1,3-diamine
CID 79677016
4-(butan-2-ylamino)-2-fluorobenzonitrile
CID 115366955
1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
CID 104612184
4-N-pentan-2-ylbenzene-1,2,4-triamine
CID 106750233
4-N-[(2S)-butan-2-yl]-2-nitrobenzene-1,4-diamine
CID 163875157
N-butan-2-yl-3,5-difluoroaniline
CID 43196032
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295418
N-(3-amino-4-fluorophenyl)-2-butan-2-ylsulfanylpropanamide
CID 43188452
4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine?
The IUPAC name of 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine (CID 79678033) is 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine.
What is the SMILES notation for 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine?
The canonical SMILES for 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine is CCC(C)Nc1ccc(F)c(N)c1.
What is the InChIKey of 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine?
The InChIKey is NWFAZPPFKFPZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-3-7(2)13-8-4-5-9(11)10(12)6-8/h4-7,13H,3,12H2,1-2H3.
What are the key properties of 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine?
1-N-butan-2-yl-4-fluorobenzene-1,3-diamine has a molecular weight of 182.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-4-fluorobenzene-1,3-diamine is sourced from PubChem (CID 79678033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).