6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C18H19ClFN — CID 83067455

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCc1ccc(F)cc1
InChIInChI=1S/C18H19ClFN/c1-18(2)10-13-5-6-14(19)9-16(13)17(18)21-11-12-3-7-15(20)8-4-12/h3-9,17,21H,10-11H2,1-2H3
InChIKeyCOMKSIXBRABYSZ-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.89
Rot. Bonds3

About 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83067455) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83067455
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCc1ccc(F)cc1
InChIInChI=1S/C18H19ClFN/c1-18(2)10-13-5-6-14(19)9-16(13)17(18)21-11-12-3-7-15(20)8-4-12/h3-9,17,21H,10-11H2,1-2H3
InChIKeyCOMKSIXBRABYSZ-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83067455) is 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCc1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is COMKSIXBRABYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-18(2)10-13-5-6-14(19)9-16(13)17(18)21-11-12-3-7-15(20)8-4-12/h3-9,17,21H,10-11H2,1-2H3.
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 303.81 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83067455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).