N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine

C9H19FN2 — CID 178011017

IUPACN-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(F)CCN(C)C1
InChIInChI=1S/C9H19FN2/c1-8(2)11-6-9(10)4-5-12(3)7-9/h8,11H,4-7H2,1-3H3
InChIKeyUURNPRZPBFNJOP-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.03
Rot. Bonds3

About N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine

N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine (PubChem CID 178011017) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine
PubChem CID178011017
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC NameN-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(F)CCN(C)C1
InChIInChI=1S/C9H19FN2/c1-8(2)11-6-9(10)4-5-12(3)7-9/h8,11H,4-7H2,1-3H3
InChIKeyUURNPRZPBFNJOP-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-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

[(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium
CID 171561088
3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
CID 147142299
4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine
CID 134373431
3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine
CID 155238211
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 178124743
N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propanamide
CID 155183393
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
N-[2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]propan-2-amine
CID 159674202
3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine (CID 178011017) is N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine is CC(C)NCC1(F)CCN(C)C1.
What is the InChIKey of N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine?
The InChIKey is UURNPRZPBFNJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-8(2)11-6-9(10)4-5-12(3)7-9/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine?
N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine has a molecular weight of 174.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 178011017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).