4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol

C15H21ClN2O — CID 82545163

IUPAC4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
SMILESNCC1c2cccc(Cl)c2CN1C1CCC(O)CC1
InChIInChI=1S/C15H21ClN2O/c16-14-3-1-2-12-13(14)9-18(15(12)8-17)10-4-6-11(19)7-5-10/h1-3,10-11,15,19H,4-9,17H2
InChIKeyJKPZJIMWZTVYBB-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.46
Rot. Bonds2

About 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol

4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol (PubChem CID 82545163) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
PubChem CID82545163
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
SMILESNCC1c2cccc(Cl)c2CN1C1CCC(O)CC1
InChIInChI=1S/C15H21ClN2O/c16-14-3-1-2-12-13(14)9-18(15(12)8-17)10-4-6-11(19)7-5-10/h1-3,10-11,15,19H,4-9,17H2
InChIKeyJKPZJIMWZTVYBB-UHFFFAOYSA-N
XLogP2.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol (CID 82545163) is 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol is NCC1c2cccc(Cl)c2CN1C1CCC(O)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
The InChIKey is JKPZJIMWZTVYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-14-3-1-2-12-13(14)9-18(15(12)8-17)10-4-6-11(19)7-5-10/h1-3,10-11,15,19H,4-9,17H2.
What are the key properties of 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol has a molecular weight of 280.80 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 82545163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).