[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

C12H17Cl2FN2 — CID 120966357

IUPAC[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2.ClH/c13-12-4-3-10(14)6-9(12)8-16-5-1-2-11(16)7-15;/h3-4,6,11H,1-2,5,7-8,15H2;1H
InChIKeyUEOPLYVLQOWWJI-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.82
Rot. Bonds3

About [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 120966357) has the molecular formula C12H17Cl2FN2 and a molecular weight of 279.19 g/mol. Its IUPAC name is [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID120966357
Molecular FormulaC12H17Cl2FN2
Molecular Weight279.19 g/mol
Exact Mass278.08
IUPAC Name[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2.ClH/c13-12-4-3-10(14)6-9(12)8-16-5-1-2-11(16)7-15;/h3-4,6,11H,1-2,5,7-8,15H2;1H
InChIKeyUEOPLYVLQOWWJI-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620187
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 122150909
[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926966
1-[(2-chloro-5-fluorophenyl)methyl]-2-(chloromethyl)azepane
CID 102620248
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-5-fluorobenzonitrile
CID 113284504
methyl 3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-chlorobenzoate;hydrochloride
CID 120841858
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine
CID 99932558

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 120966357) is [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1Cc1cc(F)ccc1Cl.
What is the InChIKey of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is UEOPLYVLQOWWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2.ClH/c13-12-4-3-10(14)6-9(12)8-16-5-1-2-11(16)7-15;/h3-4,6,11H,1-2,5,7-8,15H2;1H.
What are the key properties of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 279.19 g/mol, XLogP of 2.82, 3 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-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120966357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).