1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

C12H17Cl2FN2 — CID 119905861

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2c(F)cccc2Cl)C1.Cl
InChIInChI=1S/C12H16ClFN2.ClH/c1-15-9-5-6-16(7-9)8-10-11(13)3-2-4-12(10)14;/h2-4,9,15H,5-8H2,1H3;1H
InChIKeyKKKTZJLSIMWVNP-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.69
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 119905861) has the molecular formula C12H17Cl2FN2 and a molecular weight of 279.19 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID119905861
Molecular FormulaC12H17Cl2FN2
Molecular Weight279.19 g/mol
Exact Mass278.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2c(F)cccc2Cl)C1.Cl
InChIInChI=1S/C12H16ClFN2.ClH/c1-15-9-5-6-16(7-9)8-10-11(13)3-2-4-12(10)14;/h2-4,9,15H,5-8H2,1H3;1H
InChIKeyKKKTZJLSIMWVNP-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 120839784
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63848044
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
CID 171691361
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86813464
2-(2-chloro-6-fluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493667
(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine
CID 757782

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 119905861) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is CNC1CCN(Cc2c(F)cccc2Cl)C1.Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is KKKTZJLSIMWVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2.ClH/c1-15-9-5-6-16(7-9)8-10-11(13)3-2-4-12(10)14;/h2-4,9,15H,5-8H2,1H3;1H.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 279.19 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).