N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine

C14H13Cl2N — CID 163470731

IUPACN-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CCC=CC=C1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2N/c1-10-6-3-2-4-9-13(10)17-14-11(15)7-5-8-12(14)16/h2,4-9,17H,3H2,1H3
InChIKeyBWIOFDDJFGWDTF-UHFFFAOYSA-N
MW266.17 g/mol
LogP5.20
Rot. Bonds2

About N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine

N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 163470731) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID163470731
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC NameN-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CCC=CC=C1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2N/c1-10-6-3-2-4-9-13(10)17-14-11(15)7-5-8-12(14)16/h2,4-9,17H,3H2,1H3
InChIKeyBWIOFDDJFGWDTF-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.17
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine (CID 163470731) is N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine is CC1=CCC=CC=C1Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is BWIOFDDJFGWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-10-6-3-2-4-9-13(10)17-14-11(15)7-5-8-12(14)16/h2,4-9,17H,3H2,1H3.
What are the key properties of N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine?
N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 266.17 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-7-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 163470731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).