1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol

C16H25NO — CID 79138711

IUPAC1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C16H25NO/c1-3-12(4-2)15(18)16(11-17)9-13-7-5-6-8-14(13)10-16/h5-8,12,15,18H,3-4,9-11,17H2,1-2H3
InChIKeyWXZVNCXXJWGLDA-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol (PubChem CID 79138711) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol
PubChem CID79138711
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C16H25NO/c1-3-12(4-2)15(18)16(11-17)9-13-7-5-6-8-14(13)10-16/h5-8,12,15,18H,3-4,9-11,17H2,1-2H3
InChIKeyWXZVNCXXJWGLDA-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol (CID 79138711) is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol is CCC(CC)C(O)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol?
The InChIKey is WXZVNCXXJWGLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-12(4-2)15(18)16(11-17)9-13-7-5-6-8-14(13)10-16/h5-8,12,15,18H,3-4,9-11,17H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol?
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-ethylbutan-1-ol is sourced from PubChem (CID 79138711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).