[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine

C14H17FN4 — CID 82545621

IUPAC[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCn1ccnc1CN1Cc2c(F)cccc2C1CN
InChIInChI=1S/C14H17FN4/c1-18-6-5-17-14(18)9-19-8-11-10(13(19)7-16)3-2-4-12(11)15/h2-6,13H,7-9,16H2,1H3
InChIKeyWSPRFWACFLMJOJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.57
Rot. Bonds3

About [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine

[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545621) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545621
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCn1ccnc1CN1Cc2c(F)cccc2C1CN
InChIInChI=1S/C14H17FN4/c1-18-6-5-17-14(18)9-19-8-11-10(13(19)7-16)3-2-4-12(11)15/h2-6,13H,7-9,16H2,1H3
InChIKeyWSPRFWACFLMJOJ-UHFFFAOYSA-N
XLogP1.57
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
[4-fluoro-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545586
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 114528295
[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
CID 110449747
[5,6,7-trimethoxy-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110450135
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 55171384
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one
CID 124616795

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine (CID 82545621) is [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine is Cn1ccnc1CN1Cc2c(F)cccc2C1CN.
What is the InChIKey of [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is WSPRFWACFLMJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-18-6-5-17-14(18)9-19-8-11-10(13(19)7-16)3-2-4-12(11)15/h2-6,13H,7-9,16H2,1H3.
What are the key properties of [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine?
[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 260.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).