N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

C17H17ClFN — CID 81333353

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C17H17ClFN/c1-11-2-4-13-5-7-17(14(13)8-11)20-10-12-3-6-16(19)15(18)9-12/h2-4,6,8-9,17,20H,5,7,10H2,1H3
InChIKeyGCVCMSFFBHGJFQ-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.56
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 81333353) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID81333353
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C17H17ClFN/c1-11-2-4-13-5-7-17(14(13)8-11)20-10-12-3-6-16(19)15(18)9-12/h2-4,6,8-9,17,20H,5,7,10H2,1H3
InChIKeyGCVCMSFFBHGJFQ-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 81333353) is N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NCc1ccc(F)c(Cl)c1)CC2.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GCVCMSFFBHGJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11-2-4-13-5-7-17(14(13)8-11)20-10-12-3-6-16(19)15(18)9-12/h2-4,6,8-9,17,20H,5,7,10H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 289.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81333353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).