(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine

C16H23FN2 — CID 82545619

IUPAC(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cccc(F)c2CN1C1CCCCCC1
InChIInChI=1S/C16H23FN2/c17-15-9-5-8-13-14(15)11-19(16(13)10-18)12-6-3-1-2-4-7-12/h5,8-9,12,16H,1-4,6-7,10-11,18H2
InChIKeyHOTRDJHZMYRQGP-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.36
Rot. Bonds2

About (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine

(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545619) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545619
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cccc(F)c2CN1C1CCCCCC1
InChIInChI=1S/C16H23FN2/c17-15-9-5-8-13-14(15)11-19(16(13)10-18)12-6-3-1-2-4-7-12/h5,8-9,12,16H,1-4,6-7,10-11,18H2
InChIKeyHOTRDJHZMYRQGP-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine
CID 82544746
(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545204
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545082
4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
CID 82545163
(2-cyclopropyl-4,5,6-trifluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82544719
(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545315
[4-fluoro-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545586
[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545606
(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545651
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545681

Frequently Asked Questions

What is the IUPAC name of (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine (CID 82545619) is (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine is NCC1c2cccc(F)c2CN1C1CCCCCC1.
What is the InChIKey of (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is HOTRDJHZMYRQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c17-15-9-5-8-13-14(15)11-19(16(13)10-18)12-6-3-1-2-4-7-12/h5,8-9,12,16H,1-4,6-7,10-11,18H2.
What are the key properties of (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 262.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).