6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine

C14H16FN3 — CID 115054238

IUPAC6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
SMILESFc1ccc2c(NCC3CCCN3)nccc2c1
InChIInChI=1S/C14H16FN3/c15-11-3-4-13-10(8-11)5-7-17-14(13)18-9-12-2-1-6-16-12/h3-5,7-8,12,16H,1-2,6,9H2,(H,17,18)
InChIKeyFCUJKDPQSBBZFV-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.54
Rot. Bonds3

About 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine

6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine (PubChem CID 115054238) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
PubChem CID115054238
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
SMILESFc1ccc2c(NCC3CCCN3)nccc2c1
InChIInChI=1S/C14H16FN3/c15-11-3-4-13-10(8-11)5-7-17-14(13)18-9-12-2-1-6-16-12/h3-5,7-8,12,16H,1-2,6,9H2,(H,17,18)
InChIKeyFCUJKDPQSBBZFV-UHFFFAOYSA-N
XLogP2.54
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-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

6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
3-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106876097
5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542199
4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638789
3-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 83833834
5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine
CID 106540424
7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine
CID 167795055
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165181
N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]pyridin-4-amine
CID 114794635

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine?
The IUPAC name of 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine (CID 115054238) is 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine.
What is the SMILES notation for 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine?
The canonical SMILES for 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine is Fc1ccc2c(NCC3CCCN3)nccc2c1.
What is the InChIKey of 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine?
The InChIKey is FCUJKDPQSBBZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-11-3-4-13-10(8-11)5-7-17-14(13)18-9-12-2-1-6-16-12/h3-5,7-8,12,16H,1-2,6,9H2,(H,17,18).
What are the key properties of 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine?
6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine has a molecular weight of 245.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine is sourced from PubChem (CID 115054238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).