7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine

C18H26FN3O — CID 145274710

IUPAC7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine
SMILESCC(C)CCN1CC[C@H](COc2cc(F)c3c(N)[nH]cc3c2)C1
InChIInChI=1S/C18H26FN3O/c1-12(2)3-5-22-6-4-13(10-22)11-23-15-7-14-9-21-18(20)17(14)16(19)8-15/h7-9,12-13,21H,3-6,10-11,20H2,1-2H3/t13-/m0/s1
InChIKeyPHEYQFTWXIVQMD-ZDUSSCGKSA-N
MW319.42 g/mol
LogP3.64
Rot. Bonds6

About 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine

7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine (PubChem CID 145274710) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine.

Molecular Properties

Compound Name7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine
PubChem CID145274710
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine
SMILESCC(C)CCN1CC[C@H](COc2cc(F)c3c(N)[nH]cc3c2)C1
InChIInChI=1S/C18H26FN3O/c1-12(2)3-5-22-6-4-13(10-22)11-23-15-7-14-9-21-18(20)17(14)16(19)8-15/h7-9,12-13,21H,3-6,10-11,20H2,1-2H3/t13-/m0/s1
InChIKeyPHEYQFTWXIVQMD-ZDUSSCGKSA-N
XLogP3.64
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine
CID 126696190
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464297
3-fluoro-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 112646194
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine
CID 65202409
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine?
The IUPAC name of 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine (CID 145274710) is 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine.
What is the SMILES notation for 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine?
The canonical SMILES for 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine is CC(C)CCN1CC[C@H](COc2cc(F)c3c(N)[nH]cc3c2)C1.
What is the InChIKey of 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine?
The InChIKey is PHEYQFTWXIVQMD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-12(2)3-5-22-6-4-13(10-22)11-23-15-7-14-9-21-18(20)17(14)16(19)8-15/h7-9,12-13,21H,3-6,10-11,20H2,1-2H3/t13-/m0/s1.
What are the key properties of 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine?
7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine has a molecular weight of 319.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methoxy]-2H-isoindol-1-amine is sourced from PubChem (CID 145274710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).