4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde

C12H13F2NO — CID 63052736

IUPAC4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde
SMILESCN(CC1CC1)c1c(F)cc(C=O)cc1F
InChIInChI=1S/C12H13F2NO/c1-15(6-8-2-3-8)12-10(13)4-9(7-16)5-11(12)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyBGELLZZDQCWZNK-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.62
Rot. Bonds4

About 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde

4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde (PubChem CID 63052736) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde
PubChem CID63052736
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde
SMILESCN(CC1CC1)c1c(F)cc(C=O)cc1F
InChIInChI=1S/C12H13F2NO/c1-15(6-8-2-3-8)12-10(13)4-9(7-16)5-11(12)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyBGELLZZDQCWZNK-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.62
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-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,5-difluorobenzaldehyde
CID 63051563
3-[4-[cyclopentylmethyl(methyl)amino]-3,5-difluorophenyl]prop-2-enoic acid
CID 77002645
[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol
CID 63077755
4-(chloromethyl)-N-(cyclopentylmethyl)-2,6-difluoro-N-methylaniline
CID 63632826
4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline
CID 107081456
3-(2,6-difluoro-4-formyl-N-methylanilino)-2-methylpropanenitrile
CID 63050878
3,5-difluoro-4-[methyl(2-propan-2-yloxyethyl)amino]benzaldehyde
CID 81055899
3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde
CID 79476243
3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde
CID 63052056
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63783626
5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde
CID 80631209
4-[cyclohexylmethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286824

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde?
The IUPAC name of 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde (CID 63052736) is 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde is CN(CC1CC1)c1c(F)cc(C=O)cc1F.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde?
The InChIKey is BGELLZZDQCWZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-15(6-8-2-3-8)12-10(13)4-9(7-16)5-11(12)14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde?
4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde has a molecular weight of 225.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde is sourced from PubChem (CID 63052736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).