N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C16H20Cl3N — CID 63425790

IUPACN-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESClc1cc(Cl)c(NC2CCC3CCCCC3C2)c(Cl)c1
InChIInChI=1S/C16H20Cl3N/c17-12-8-14(18)16(15(19)9-12)20-13-6-5-10-3-1-2-4-11(10)7-13/h8-11,13,20H,1-7H2
InChIKeyKSRSZAFKVNVWRK-UHFFFAOYSA-N
MW332.70 g/mol
LogP6.42
Rot. Bonds2

About N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 63425790) has the molecular formula C16H20Cl3N and a molecular weight of 332.70 g/mol. Its IUPAC name is N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID63425790
Molecular FormulaC16H20Cl3N
Molecular Weight332.70 g/mol
Exact Mass331.07
IUPAC NameN-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESClc1cc(Cl)c(NC2CCC3CCCCC3C2)c(Cl)c1
InChIInChI=1S/C16H20Cl3N/c17-12-8-14(18)16(15(19)9-12)20-13-6-5-10-3-1-2-4-11(10)7-13/h8-11,13,20H,1-7H2
InChIKeyKSRSZAFKVNVWRK-UHFFFAOYSA-N
XLogP6.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.70
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 63425790) is N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is Clc1cc(Cl)c(NC2CCC3CCCCC3C2)c(Cl)c1.
What is the InChIKey of N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is KSRSZAFKVNVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl3N/c17-12-8-14(18)16(15(19)9-12)20-13-6-5-10-3-1-2-4-11(10)7-13/h8-11,13,20H,1-7H2.
What are the key properties of N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 332.70 g/mol, XLogP of 6.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 63425790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).