3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine

C14H22FN3 — CID 82545552

IUPAC3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1Cc2ccc(F)cc2C1CN
InChIInChI=1S/C14H22FN3/c1-17(2)6-3-7-18-10-11-4-5-12(15)8-13(11)14(18)9-16/h4-5,8,14H,3,6-7,9-10,16H2,1-2H3
InChIKeyWAOCKEWCZWDTAI-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.59
Rot. Bonds5

About 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine

3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 82545552) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
PubChem CID82545552
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1Cc2ccc(F)cc2C1CN
InChIInChI=1S/C14H22FN3/c1-17(2)6-3-7-18-10-11-4-5-12(15)8-13(11)14(18)9-16/h4-5,8,14H,3,6-7,9-10,16H2,1-2H3
InChIKeyWAOCKEWCZWDTAI-UHFFFAOYSA-N
XLogP1.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine (CID 82545552) is 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1Cc2ccc(F)cc2C1CN.
What is the InChIKey of 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is WAOCKEWCZWDTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17(2)6-3-7-18-10-11-4-5-12(15)8-13(11)14(18)9-16/h4-5,8,14H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine?
3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82545552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).