4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine

C17H26N2O — CID 101104166

IUPAC4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
SMILESCOc1ccc2c(c1)CN(CCC1CCC(N)CC1)C2
InChIInChI=1S/C17H26N2O/c1-20-17-7-4-14-11-19(12-15(14)10-17)9-8-13-2-5-16(18)6-3-13/h4,7,10,13,16H,2-3,5-6,8-9,11-12,18H2,1H3
InChIKeyFJLWGPPJIAEIPW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.92
Rot. Bonds4

About 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine

4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 101104166) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
PubChem CID101104166
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
SMILESCOc1ccc2c(c1)CN(CCC1CCC(N)CC1)C2
InChIInChI=1S/C17H26N2O/c1-20-17-7-4-14-11-19(12-15(14)10-17)9-8-13-2-5-16(18)6-3-13/h4,7,10,13,16H,2-3,5-6,8-9,11-12,18H2,1H3
InChIKeyFJLWGPPJIAEIPW-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole
CID 82164132
3-[3-(5-methoxy-1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 82164143
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 141336166
2-[2-(4-methoxyphenoxy)ethyl]-1,3-dihydroisoindole-5-carbonitrile
CID 82163922
acetaldehyde;ethane;5-methoxy-2-methyl-1,3-dihydroisoindole
CID 144686175
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-thiol
CID 89053369
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
2-(5-amino-1,3-dihydroisoindol-2-yl)-4-methoxybenzonitrile
CID 81304180
3-[4-[(4-aminocyclohexyl)methyl]piperidin-1-yl]-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one
CID 170404166

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine (CID 101104166) is 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine is COc1ccc2c(c1)CN(CCC1CCC(N)CC1)C2.
What is the InChIKey of 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is FJLWGPPJIAEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-17-7-4-14-11-19(12-15(14)10-17)9-8-13-2-5-16(18)6-3-13/h4,7,10,13,16H,2-3,5-6,8-9,11-12,18H2,1H3.
What are the key properties of 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine?
4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 101104166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).