1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde

C15H20FNO — CID 55050971

IUPAC1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
SMILESCN(Cc1cccc(F)c1)CC1(C=O)CCCC1
InChIInChI=1S/C15H20FNO/c1-17(10-13-5-4-6-14(16)9-13)11-15(12-18)7-2-3-8-15/h4-6,9,12H,2-3,7-8,10-11H2,1H3
InChIKeyVVINMEDWXKTEMA-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.02
Rot. Bonds5

About 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde

1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 55050971) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
PubChem CID55050971
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
SMILESCN(Cc1cccc(F)c1)CC1(C=O)CCCC1
InChIInChI=1S/C15H20FNO/c1-17(10-13-5-4-6-14(16)9-13)11-15(12-18)7-2-3-8-15/h4-6,9,12H,2-3,7-8,10-11H2,1H3
InChIKeyVVINMEDWXKTEMA-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.02
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-[[(3-chlorophenyl)methyl-methylamino]methyl]oxane-3-carbaldehyde
CID 63739911
N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 63133198
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
CID 82768565
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde
CID 62277796
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
9-[(3-fluorophenyl)methyl-methylamino]nonane-1-thiol
CID 105344035
1-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246649
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
1-carbamothioyl-N-[(3-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80592624
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde (CID 55050971) is 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde is CN(Cc1cccc(F)c1)CC1(C=O)CCCC1.
What is the InChIKey of 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is VVINMEDWXKTEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-17(10-13-5-4-6-14(16)9-13)11-15(12-18)7-2-3-8-15/h4-6,9,12H,2-3,7-8,10-11H2,1H3.
What are the key properties of 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde?
1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 249.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 55050971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).