2-[ethyl(propyl)amino]-5-fluorobenzaldehyde

C12H16FNO — CID 43312974

IUPAC2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
SMILESCCCN(CC)c1ccc(F)cc1C=O
InChIInChI=1S/C12H16FNO/c1-3-7-14(4-2)12-6-5-11(13)8-10(12)9-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyJUINHNDINNKYBU-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.87
Rot. Bonds5

About 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde

2-[ethyl(propyl)amino]-5-fluorobenzaldehyde (PubChem CID 43312974) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
PubChem CID43312974
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
SMILESCCCN(CC)c1ccc(F)cc1C=O
InChIInChI=1S/C12H16FNO/c1-3-7-14(4-2)12-6-5-11(13)8-10(12)9-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyJUINHNDINNKYBU-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorobenzaldehyde
CID 43312933
2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde
CID 79477155
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde
CID 61423708
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
N-ethyl-5-fluoro-2-nitro-N-propylaniline
CID 142511621
2-(diethylamino)-5-methylsulfonylbenzaldehyde
CID 143239064
(E)-3-[5-bromo-2-[ethyl(propyl)amino]phenyl]prop-2-enoic acid
CID 114061882
methyl 2-[ethyl(propyl)amino]-5-formylbenzoate
CID 145007986
4-(dipropylamino)-2-methylbenzaldehyde
CID 14848763
2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
CID 54946669

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde?
The IUPAC name of 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde (CID 43312974) is 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde is CCCN(CC)c1ccc(F)cc1C=O.
What is the InChIKey of 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde?
The InChIKey is JUINHNDINNKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-7-14(4-2)12-6-5-11(13)8-10(12)9-15/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde?
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde has a molecular weight of 209.26 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]-5-fluorobenzaldehyde is sourced from PubChem (CID 43312974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).