N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

C18H20ClN — CID 78956089

IUPACN-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NC(C)c1ccccc1Cl)CC2
InChIInChI=1S/C18H20ClN/c1-12-7-8-14-9-10-18(16(14)11-12)20-13(2)15-5-3-4-6-17(15)19/h3-8,11,13,18,20H,9-10H2,1-2H3
InChIKeyDBZCQCPPLQUWCN-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.99
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 78956089) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID78956089
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NC(C)c1ccccc1Cl)CC2
InChIInChI=1S/C18H20ClN/c1-12-7-8-14-9-10-18(16(14)11-12)20-13(2)15-5-3-4-6-17(15)19/h3-8,11,13,18,20H,9-10H2,1-2H3
InChIKeyDBZCQCPPLQUWCN-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 81374651
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
6-methyl-N-(1-pyridin-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81302409
N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956223
6-methyl-N-(3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 81300726
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81298471
6-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79040850
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 81339043
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584
2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 113262002
N-[1-(3,4-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956222

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 78956089) is N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NC(C)c1ccccc1Cl)CC2.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DBZCQCPPLQUWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-7-8-14-9-10-18(16(14)11-12)20-13(2)15-5-3-4-6-17(15)19/h3-8,11,13,18,20H,9-10H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.82 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78956089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).