2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde

C14H20FNO2 — CID 54999779

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
SMILESCCC(C)N(CCOC)c1ccc(F)cc1C=O
InChIInChI=1S/C14H20FNO2/c1-4-11(2)16(7-8-18-3)14-6-5-13(15)9-12(14)10-17/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyGSPNAXXUVIMIDW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.89
Rot. Bonds7

About 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde

2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde (PubChem CID 54999779) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
PubChem CID54999779
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
SMILESCCC(C)N(CCOC)c1ccc(F)cc1C=O
InChIInChI=1S/C14H20FNO2/c1-4-11(2)16(7-8-18-3)14-6-5-13(15)9-12(14)10-17/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyGSPNAXXUVIMIDW-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorophenyl]prop-2-enoic acid
CID 76911951
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 55000117
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
CID 54946669
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940624
2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde
CID 79477155
1-[2-[butan-2-yl(2-methoxyethyl)amino]-6-fluorophenyl]ethanone
CID 55000062
2-bromo-4-(bromomethyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 114062500
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
CID 43312974

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde (CID 54999779) is 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde is CCC(C)N(CCOC)c1ccc(F)cc1C=O.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde?
The InChIKey is GSPNAXXUVIMIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-11(2)16(7-8-18-3)14-6-5-13(15)9-12(14)10-17/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde?
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde has a molecular weight of 253.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde is sourced from PubChem (CID 54999779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).