N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine

C11H14ClFN2 — CID 115036943

IUPACN-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine
SMILESFCc1ccc(NC2CCNC2)c(Cl)c1
InChIInChI=1S/C11H14ClFN2/c12-10-5-8(6-13)1-2-11(10)15-9-3-4-14-7-9/h1-2,5,9,14-15H,3-4,6-7H2
InChIKeyXFNJDUCUMWPHSK-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.58
Rot. Bonds3

About N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine

N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 115036943) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID115036943
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC NameN-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine
SMILESFCc1ccc(NC2CCNC2)c(Cl)c1
InChIInChI=1S/C11H14ClFN2/c12-10-5-8(6-13)1-2-11(10)15-9-3-4-14-7-9/h1-2,5,9,14-15H,3-4,6-7H2
InChIKeyXFNJDUCUMWPHSK-UHFFFAOYSA-N
XLogP2.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 79724113
N-[2-bromo-4-(fluoromethyl)phenyl]piperidin-3-amine
CID 115052418
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 66545630
N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 115119037
N-(2,5-difluorophenyl)pyrrolidin-3-amine
CID 79737094
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
CID 81264104
N-(2,4-dibromophenyl)pyrrolidin-3-amine
CID 79725192
3-chloro-2-N,2-N-dimethyl-1-N-pyrrolidin-3-ylbenzene-1,2-diamine
CID 79730840
2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine
CID 117356635
N-(4-ethylphenyl)pyrrolidin-3-amine
CID 79724567
N-(2-chloro-4-nitrophenyl)piperidin-4-amine
CID 43345822

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine (CID 115036943) is N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine is FCc1ccc(NC2CCNC2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is XFNJDUCUMWPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-10-5-8(6-13)1-2-11(10)15-9-3-4-14-7-9/h1-2,5,9,14-15H,3-4,6-7H2.
What are the key properties of N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine?
N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 228.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(fluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 115036943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).