N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine

C12H16ClFN2 — CID 107423450

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2ccc(Cl)cc2F)CCNC1
InChIInChI=1S/C12H16ClFN2/c1-12(4-5-15-8-12)16-7-9-2-3-10(13)6-11(9)14/h2-3,6,15-16H,4-5,7-8H2,1H3
InChIKeyOCYBLEBCIGHURQ-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.32
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine

N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine (PubChem CID 107423450) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
PubChem CID107423450
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
SMILESCC1(NCc2ccc(Cl)cc2F)CCNC1
InChIInChI=1S/C12H16ClFN2/c1-12(4-5-15-8-12)16-7-9-2-3-10(13)6-11(9)14/h2-3,6,15-16H,4-5,7-8H2,1H3
InChIKeyOCYBLEBCIGHURQ-UHFFFAOYSA-N
XLogP2.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423886
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424604
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424600
N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424086
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine
CID 107423652
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423637
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
N-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine
CID 107423565
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424188
N-[(4-chloro-2-fluorophenyl)methyl]adamantan-1-amine
CID 114841278
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765891

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine (CID 107423450) is N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine is CC1(NCc2ccc(Cl)cc2F)CCNC1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine?
The InChIKey is OCYBLEBCIGHURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-12(4-5-15-8-12)16-7-9-2-3-10(13)6-11(9)14/h2-3,6,15-16H,4-5,7-8H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine has a molecular weight of 242.72 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107423450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).