[1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C14H21Cl2FN2 — CID 120771335

IUPAC[1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(CCc2c(F)cccc2Cl)C1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-14(9-17)6-8-18(10-14)7-5-11-12(15)3-2-4-13(11)16;/h2-4H,5-10,17H2,1H3;1H
InChIKeyPDIJFVNSPFDDCN-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.11
Rot. Bonds4

About [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120771335) has the molecular formula C14H21Cl2FN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120771335
Molecular FormulaC14H21Cl2FN2
Molecular Weight307.24 g/mol
Exact Mass306.11
IUPAC Name[1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(CCc2c(F)cccc2Cl)C1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-14(9-17)6-8-18(10-14)7-5-11-12(15)3-2-4-13(11)16;/h2-4H,5-10,17H2,1H3;1H
InChIKeyPDIJFVNSPFDDCN-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-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

[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773885
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 120804377
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine
CID 120773709
[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772336
[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773591
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120771660
[1-[(3-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846944
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165198

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120771335) is [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(CCc2c(F)cccc2Cl)C1.Cl.
What is the InChIKey of [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is PDIJFVNSPFDDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2.ClH/c1-14(9-17)6-8-18(10-14)7-5-11-12(15)3-2-4-13(11)16;/h2-4H,5-10,17H2,1H3;1H.
What are the key properties of [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 307.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120771335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).