N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C15H22F2N2 — CID 115767635

IUPACN-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cc(F)cc(F)c1)CN1CCCC1
InChIInChI=1S/C15H22F2N2/c1-12(11-19-4-2-3-5-19)9-18-10-13-6-14(16)8-15(17)7-13/h6-8,12,18H,2-5,9-11H2,1H3
InChIKeyHPXYEXIRZKOFLW-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.79
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 115767635) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID115767635
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cc(F)cc(F)c1)CN1CCCC1
InChIInChI=1S/C15H22F2N2/c1-12(11-19-4-2-3-5-19)9-18-10-13-6-14(16)8-15(17)7-13/h6-8,12,18H,2-5,9-11H2,1H3
InChIKeyHPXYEXIRZKOFLW-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine 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

N-[(5-fluoro-3-pyridinyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 104953477
2-fluoro-4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoic acid
CID 106700025
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzene-1,2-diol
CID 60957707
N-[[3-(difluoromethyl)phenyl]methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 115526373
2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893417
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzonitrile
CID 60957478
N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 114842325
N-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60956731
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 60961619
N-(1H-indol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 102910856
1-[(3-fluorophenyl)methyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111876785

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 115767635) is N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1cc(F)cc(F)c1)CN1CCCC1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is HPXYEXIRZKOFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-12(11-19-4-2-3-5-19)9-18-10-13-6-14(16)8-15(17)7-13/h6-8,12,18H,2-5,9-11H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 268.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 115767635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).