N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

C15H22ClFN2 — CID 43749140

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1c(F)cccc1Cl
InChIInChI=1S/C15H22ClFN2/c1-12(11-19-8-3-2-4-9-19)18-10-13-14(16)6-5-7-15(13)17/h5-7,12,18H,2-4,8-11H2,1H3
InChIKeyGCVUCYTTWOYSSG-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 43749140) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID43749140
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1c(F)cccc1Cl
InChIInChI=1S/C15H22ClFN2/c1-12(11-19-8-3-2-4-9-19)18-10-13-14(16)6-5-7-15(13)17/h5-7,12,18H,2-4,8-11H2,1H3
InChIKeyGCVUCYTTWOYSSG-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 134711922
N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 102615571
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
N-[(2-chloro-6-fluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688164
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 43749140) is N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is GCVUCYTTWOYSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-12(11-19-8-3-2-4-9-19)18-10-13-14(16)6-5-7-15(13)17/h5-7,12,18H,2-4,8-11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 43749140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).