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

C12H19FN2 — CID 43274256

IUPAC1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine
SMILESCCC(C)N(CC)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2/c1-4-9(3)15(5-2)12-7-6-10(13)8-11(12)14/h6-9H,4-5,14H2,1-3H3
InChIKeyDCRSUAYHDPDDGK-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.03
Rot. Bonds4

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

1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine (PubChem CID 43274256) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine
PubChem CID43274256
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine
SMILESCCC(C)N(CC)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2/c1-4-9(3)15(5-2)12-7-6-10(13)8-11(12)14/h6-9H,4-5,14H2,1-3H3
InChIKeyDCRSUAYHDPDDGK-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[amino(ethyl)amino]-5-fluoroaniline
CID 134239399
1-N-butan-2-yl-4-chloro-1-N-ethyl-5-fluorobenzene-1,2-diamine
CID 66078180
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
2-N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189397
1-[4-[butan-2-yl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43506190
2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline
CID 63816560
2-amino-6-[butan-2-yl(ethyl)amino]-3-fluorobenzoic acid
CID 83215101
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477918
4-amino-3-[butan-2-yl(ethyl)amino]benzonitrile
CID 104711503
4-N-butan-2-yl-4-N-ethyl-2,1,3-benzoxadiazole-4,7-diamine
CID 43518614
4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981611

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine (CID 43274256) is 1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine is CCC(C)N(CC)c1ccc(F)cc1N.
What is the InChIKey of 1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine?
The InChIKey is DCRSUAYHDPDDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-9(3)15(5-2)12-7-6-10(13)8-11(12)14/h6-9H,4-5,14H2,1-3H3.
What are the key properties of 1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine?
1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 43274256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).