N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine

C12H16F2N2 — CID 106638289

IUPACN-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESFc1ccc(CNCC2CCCN2)c(F)c1
InChIInChI=1S/C12H16F2N2/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h3-4,6,11,15-16H,1-2,5,7-8H2
InChIKeyXKCKZLXSLRPTEC-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.81
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine

N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine (PubChem CID 106638289) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
PubChem CID106638289
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESFc1ccc(CNCC2CCCN2)c(F)c1
InChIInChI=1S/C12H16F2N2/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h3-4,6,11,15-16H,1-2,5,7-8H2
InChIKeyXKCKZLXSLRPTEC-UHFFFAOYSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 79560149
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine (CID 106638289) is N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine is Fc1ccc(CNCC2CCCN2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The InChIKey is XKCKZLXSLRPTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h3-4,6,11,15-16H,1-2,5,7-8H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine has a molecular weight of 226.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 106638289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).