3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde

C14H18FNO2 — CID 114067171

IUPAC3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde
SMILESCN(CC1(O)CCCC1)c1c(F)cccc1C=O
InChIInChI=1S/C14H18FNO2/c1-16(10-14(18)7-2-3-8-14)13-11(9-17)5-4-6-12(13)15/h4-6,9,18H,2-3,7-8,10H2,1H3
InChIKeyVFXREKJIHNJNPI-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.38
Rot. Bonds4

About 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde

3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde (PubChem CID 114067171) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde
PubChem CID114067171
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde
SMILESCN(CC1(O)CCCC1)c1c(F)cccc1C=O
InChIInChI=1S/C14H18FNO2/c1-16(10-14(18)7-2-3-8-14)13-11(9-17)5-4-6-12(13)15/h4-6,9,18H,2-3,7-8,10H2,1H3
InChIKeyVFXREKJIHNJNPI-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 114067025
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-(trifluoromethyl)benzaldehyde
CID 114950069
1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 71854314
2-[(4-bromothiophen-2-yl)methyl-methylamino]-3-fluorobenzaldehyde
CID 114067058
2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115759842
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
CID 115760198
(4S)-1-[(2,6-difluorophenyl)methyl]-4-[(dimethylamino)methyl]azepan-4-ol
CID 95724527
2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759779
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
2-[1-(dimethylamino)cyclopentyl]benzaldehyde
CID 115030249
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
CID 114949916
1-[[(6-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114953942

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde?
The IUPAC name of 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde (CID 114067171) is 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde?
The canonical SMILES for 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde is CN(CC1(O)CCCC1)c1c(F)cccc1C=O.
What is the InChIKey of 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde?
The InChIKey is VFXREKJIHNJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16(10-14(18)7-2-3-8-14)13-11(9-17)5-4-6-12(13)15/h4-6,9,18H,2-3,7-8,10H2,1H3.
What are the key properties of 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde?
3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde has a molecular weight of 251.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde is sourced from PubChem (CID 114067171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).