3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde

C14H20FNO — CID 54999827

IUPAC3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde
SMILESCC(C)CN(c1ccc(C=O)cc1F)C(C)C
InChIInChI=1S/C14H20FNO/c1-10(2)8-16(11(3)4)14-6-5-12(9-17)7-13(14)15/h5-7,9-11H,8H2,1-4H3
InChIKeyYXZPWLJWVNPQCL-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.51
Rot. Bonds5

About 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde

3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde (PubChem CID 54999827) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde
PubChem CID54999827
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde
SMILESCC(C)CN(c1ccc(C=O)cc1F)C(C)C
InChIInChI=1S/C14H20FNO/c1-10(2)8-16(11(3)4)14-6-5-12(9-17)7-13(14)15/h5-7,9-11H,8H2,1-4H3
InChIKeyYXZPWLJWVNPQCL-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.51
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

3-chloro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde
CID 81145822
4-[1-(ethylamino)ethyl]-2-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63532693
3-fluoro-4-[methyl(2-methylsulfonylethyl)amino]benzaldehyde
CID 79850741
4-[ethyl(2-methylpropyl)amino]-3-methylbenzaldehyde
CID 62122123
3-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]prop-2-enoic acid
CID 76998002
3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 61427708
3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
CID 43565130
4-[3-(diethylamino)propyl-ethylamino]-3-fluorobenzaldehyde
CID 102994591
4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde
CID 82951138
3-methyl-4-[methyl(4-methylpentan-2-yl)amino]benzaldehyde
CID 55040300
4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde
CID 107399466
3-chloro-4-[cyclopropyl(2-methylpropyl)amino]benzaldehyde
CID 81145699

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde?
The IUPAC name of 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde (CID 54999827) is 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde is CC(C)CN(c1ccc(C=O)cc1F)C(C)C.
What is the InChIKey of 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde?
The InChIKey is YXZPWLJWVNPQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)8-16(11(3)4)14-6-5-12(9-17)7-13(14)15/h5-7,9-11H,8H2,1-4H3.
What are the key properties of 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde?
3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde has a molecular weight of 237.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde is sourced from PubChem (CID 54999827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).