[6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine

C14H15ClN2O — CID 82545334

IUPAC[6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(Cl)ccc2CN1Cc1ccco1
InChIInChI=1S/C14H15ClN2O/c15-11-4-3-10-8-17(9-12-2-1-5-18-12)14(7-16)13(10)6-11/h1-6,14H,7-9,16H2
InChIKeyMDGJXKDUPVTTCH-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.95
Rot. Bonds3

About [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine

[6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545334) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545334
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name[6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(Cl)ccc2CN1Cc1ccco1
InChIInChI=1S/C14H15ClN2O/c15-11-4-3-10-8-17(9-12-2-1-5-18-12)14(7-16)13(10)6-11/h1-6,14H,7-9,16H2
InChIKeyMDGJXKDUPVTTCH-UHFFFAOYSA-N
XLogP2.95
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545334) is [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2cc(Cl)ccc2CN1Cc1ccco1.
What is the InChIKey of [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is MDGJXKDUPVTTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-11-4-3-10-8-17(9-12-2-1-5-18-12)14(7-16)13(10)6-11/h1-6,14H,7-9,16H2.
What are the key properties of [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
[6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 262.74 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).