1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride

C11H15Cl2FN2 — CID 120966061

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C11H14ClFN2.ClH/c12-11-2-1-9(13)5-8(11)6-15-4-3-10(14)7-15;/h1-2,5,10H,3-4,6-7,14H2;1H
InChIKeyJXWGOFRHWFGGKS-UHFFFAOYSA-N
MW265.16 g/mol
LogP2.43
Rot. Bonds2

About 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride

1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120966061) has the molecular formula C11H15Cl2FN2 and a molecular weight of 265.16 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120966061
Molecular FormulaC11H15Cl2FN2
Molecular Weight265.16 g/mol
Exact Mass264.06
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C11H14ClFN2.ClH/c12-11-2-1-9(13)5-8(11)6-15-4-3-10(14)7-15;/h1-2,5,10H,3-4,6-7,14H2;1H
InChIKeyJXWGOFRHWFGGKS-UHFFFAOYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620188
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
(3S)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966557
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120966061) is 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is JXWGOFRHWFGGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2.ClH/c12-11-2-1-9(13)5-8(11)6-15-4-3-10(14)7-15;/h1-2,5,10H,3-4,6-7,14H2;1H.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 265.16 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120966061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).