4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde

C14H18FNO — CID 107399466

IUPAC4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde
SMILESCCN(CC1CCC1)c1ccc(C=O)cc1F
InChIInChI=1S/C14H18FNO/c1-2-16(9-11-4-3-5-11)14-7-6-12(10-17)8-13(14)15/h6-8,10-11H,2-5,9H2,1H3
InChIKeyDYLJNPBPOSCGPR-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.26
Rot. Bonds5

About 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde

4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde (PubChem CID 107399466) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde
PubChem CID107399466
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde
SMILESCCN(CC1CCC1)c1ccc(C=O)cc1F
InChIInChI=1S/C14H18FNO/c1-2-16(9-11-4-3-5-11)14-7-6-12(10-17)8-13(14)15/h6-8,10-11H,2-5,9H2,1H3
InChIKeyDYLJNPBPOSCGPR-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.26
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-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
CID 107399231
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
4-[3-(diethylamino)propyl-ethylamino]-3-fluorobenzaldehyde
CID 102994591
(E)-3-[2-[cyclobutylmethyl(ethyl)amino]-5-fluorophenyl]prop-2-enoic acid
CID 107400021
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
3-chloro-4-[cyclopropylmethyl(propyl)amino]benzaldehyde
CID 81144951
3-[4-[cyclobutylmethyl(methyl)amino]-3-fluorophenyl]prop-2-enoic acid
CID 76950944
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
CID 63957048
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline
CID 107399978
4-[cyclobutylmethyl(ethyl)amino]-2,3-difluorobenzonitrile
CID 107934283
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
CID 54994433
N-ethyl-2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643566

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde (CID 107399466) is 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde is CCN(CC1CCC1)c1ccc(C=O)cc1F.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde?
The InChIKey is DYLJNPBPOSCGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-16(9-11-4-3-5-11)14-7-6-12(10-17)8-13(14)15/h6-8,10-11H,2-5,9H2,1H3.
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde?
4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde has a molecular weight of 235.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde is sourced from PubChem (CID 107399466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).