6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C14H17Cl2N — CID 113464540

IUPAC6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESC=C(Cl)CNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C14H17Cl2N/c1-9(15)8-17-13-12-6-11(16)5-4-10(12)7-14(13,2)3/h4-6,13,17H,1,7-8H2,2-3H3
InChIKeyGFYZCEVJZROEDR-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.31
Rot. Bonds3

About 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 113464540) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID113464540
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC Name6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESC=C(Cl)CNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C14H17Cl2N/c1-9(15)8-17-13-12-6-11(16)5-4-10(12)7-14(13,2)3/h4-6,13,17H,1,7-8H2,2-3H3
InChIKeyGFYZCEVJZROEDR-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 113464540) is 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is C=C(Cl)CNC1c2cc(Cl)ccc2CC1(C)C.
What is the InChIKey of 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is GFYZCEVJZROEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c1-9(15)8-17-13-12-6-11(16)5-4-10(12)7-14(13,2)3/h4-6,13,17H,1,7-8H2,2-3H3.
What are the key properties of 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 270.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 113464540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).