8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine

C19H27NO — CID 62795056

IUPAC8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(C)Oc1ccc(C2(N)CC3CC2C2CCCC32)cc1
InChIInChI=1S/C19H27NO/c1-12(2)21-15-8-6-14(7-9-15)19(20)11-13-10-18(19)17-5-3-4-16(13)17/h6-9,12-13,16-18H,3-5,10-11,20H2,1-2H3
InChIKeyPLXQLVZBSUCOBE-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.08
Rot. Bonds3

About 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine

8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 62795056) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID62795056
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(C)Oc1ccc(C2(N)CC3CC2C2CCCC32)cc1
InChIInChI=1S/C19H27NO/c1-12(2)21-15-8-6-14(7-9-15)19(20)11-13-10-18(19)17-5-3-4-16(13)17/h6-9,12-13,16-18H,3-5,10-11,20H2,1-2H3
InChIKeyPLXQLVZBSUCOBE-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 62795056) is 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine is CC(C)Oc1ccc(C2(N)CC3CC2C2CCCC32)cc1.
What is the InChIKey of 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is PLXQLVZBSUCOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-12(2)21-15-8-6-14(7-9-15)19(20)11-13-10-18(19)17-5-3-4-16(13)17/h6-9,12-13,16-18H,3-5,10-11,20H2,1-2H3.
What are the key properties of 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 285.43 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propan-2-yloxyphenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 62795056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).