3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal

C18H20FNO — CID 62278320

IUPAC3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
SMILESCCN(CC(C)(C=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-3-20(17-11-9-16(19)10-12-17)13-18(2,14-21)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3
InChIKeyUGTZFJLRBVCYTA-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.81
Rot. Bonds6

About 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal

3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal (PubChem CID 62278320) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
PubChem CID62278320
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
SMILESCCN(CC(C)(C=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-3-20(17-11-9-16(19)10-12-17)13-18(2,14-21)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3
InChIKeyUGTZFJLRBVCYTA-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.81
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

4-(1,1-diphenylethyl)-N,N-diethylaniline
CID 139052612
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
N,N-diethyl-4-fluoroaniline
CID 592416
1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine
CID 65267083
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
CID 59366408
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276408
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
CID 62276440
(2S)-4,4-bis(benzenesulfonyl)-2-(4-fluorophenyl)-2-methylbutanal
CID 102104460
4-(N-ethyl-4-fluoroanilino)-2-methylbut-2-enoic acid
CID 77074204

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal?
The IUPAC name of 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal (CID 62278320) is 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal is CCN(CC(C)(C=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal?
The InChIKey is UGTZFJLRBVCYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-20(17-11-9-16(19)10-12-17)13-18(2,14-21)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal?
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal has a molecular weight of 285.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal is sourced from PubChem (CID 62278320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).