[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine

C12H16F2N2 — CID 115035536

IUPAC[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine
SMILESNCc1ccccc1N1CCCC(F)(F)C1
InChIInChI=1S/C12H16F2N2/c13-12(14)6-3-7-16(9-12)11-5-2-1-4-10(11)8-15/h1-2,4-5H,3,6-9,15H2
InChIKeyUWAHFBMEZFCRCQ-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.38
Rot. Bonds2

About [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine

[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine (PubChem CID 115035536) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine
PubChem CID115035536
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine
SMILESNCc1ccccc1N1CCCC(F)(F)C1
InChIInChI=1S/C12H16F2N2/c13-12(14)6-3-7-16(9-12)11-5-2-1-4-10(11)8-15/h1-2,4-5H,3,6-9,15H2
InChIKeyUWAHFBMEZFCRCQ-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine
CID 79677460
(2-piperazin-1-ylphenyl)methanamine;hydrochloride
CID 174363608
1-(2-bromophenyl)-3,3-difluoropyrrolidine
CID 115048930
[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43164176
4-(3,3-difluoropiperidin-1-yl)-3-fluorobenzoic acid
CID 138986330
1-[2-(aminomethyl)phenyl]pyrrolidin-3-one
CID 115018241
1-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-4-methylpiperazine
CID 166093263
1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
CID 117007699
(3-fluoro-1-phenylpiperidin-3-yl)methanamine
CID 115025936
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
[4-(3,3-difluoropyrrolidin-1-yl)-2-methylphenyl]methanamine
CID 169489232
3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine
CID 115033528

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine (CID 115035536) is [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine is NCc1ccccc1N1CCCC(F)(F)C1.
What is the InChIKey of [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine?
The InChIKey is UWAHFBMEZFCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-12(14)6-3-7-16(9-12)11-5-2-1-4-10(11)8-15/h1-2,4-5H,3,6-9,15H2.
What are the key properties of [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine?
[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine has a molecular weight of 226.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 115035536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).