N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine

C19H26ClN — CID 43677413

IUPACN-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(Cc1ccccc1Cl)NC1CC2CC1C1CCCC21
InChIInChI=1S/C19H26ClN/c1-12(9-13-5-2-3-8-18(13)20)21-19-11-14-10-17(19)16-7-4-6-15(14)16/h2-3,5,8,12,14-17,19,21H,4,6-7,9-11H2,1H3
InChIKeyXVVIBEGOSWCULS-UHFFFAOYSA-N
MW303.88 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine

N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43677413) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43677413
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(Cc1ccccc1Cl)NC1CC2CC1C1CCCC21
InChIInChI=1S/C19H26ClN/c1-12(9-13-5-2-3-8-18(13)20)21-19-11-14-10-17(19)16-7-4-6-15(14)16/h2-3,5,8,12,14-17,19,21H,4,6-7,9-11H2,1H3
InChIKeyXVVIBEGOSWCULS-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43677413) is N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine is CC(Cc1ccccc1Cl)NC1CC2CC1C1CCCC21.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is XVVIBEGOSWCULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c1-12(9-13-5-2-3-8-18(13)20)21-19-11-14-10-17(19)16-7-4-6-15(14)16/h2-3,5,8,12,14-17,19,21H,4,6-7,9-11H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 303.88 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43677413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).