N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine

C12H16F2N2O — CID 114223686

IUPACN-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCC2CCC(F)(F)C2)cn1
InChIInChI=1S/C12H16F2N2O/c1-17-11-3-2-10(8-16-11)15-7-9-4-5-12(13,14)6-9/h2-3,8-9,15H,4-7H2,1H3
InChIKeyDNJGKBNZEMTHMN-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.94
Rot. Bonds4

About N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine

N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine (PubChem CID 114223686) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine
PubChem CID114223686
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCC2CCC(F)(F)C2)cn1
InChIInChI=1S/C12H16F2N2O/c1-17-11-3-2-10(8-16-11)15-7-9-4-5-12(13,14)6-9/h2-3,8-9,15H,4-7H2,1H3
InChIKeyDNJGKBNZEMTHMN-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
tert-butyl 3-[[(6-methoxy-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759143
5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 107529033
5-bromo-N-[(3,3-difluorocyclopentyl)methyl]-2-methoxyaniline
CID 114223784
N-[(3,3-difluorocyclopentyl)methyl]-4-fluoro-2-methylaniline
CID 114223721
N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 55030411
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine
CID 43755848
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridin-3-amine
CID 63771060
3-chloro-N-[(3,3-difluorocyclopentyl)methyl]-5-fluoroaniline
CID 114223944
N-[(3,3-difluorocyclopentyl)methyl]-2,6-difluoro-3-methylaniline
CID 114223899
N-(2-bromoprop-2-enyl)-6-methoxypyridin-3-amine
CID 60873566

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine (CID 114223686) is N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine is COc1ccc(NCC2CCC(F)(F)C2)cn1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine?
The InChIKey is DNJGKBNZEMTHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-17-11-3-2-10(8-16-11)15-7-9-4-5-12(13,14)6-9/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine?
N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine has a molecular weight of 242.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 114223686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).