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

C18H20ClNO — CID 81374651

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N[C@@H](C)c1ccccc1Cl)CC2
InChIInChI=1S/C18H20ClNO/c1-12(15-5-3-4-6-17(15)19)20-18-10-8-13-7-9-14(21-2)11-16(13)18/h3-7,9,11-12,18,20H,8,10H2,1-2H3/t12-,18?/m0/s1
InChIKeyGQLFZDVYWYRLAG-RSXQAXDFSA-N
MW301.82 g/mol
LogP4.69
Rot. Bonds4

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

N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 81374651) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID81374651
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N[C@@H](C)c1ccccc1Cl)CC2
InChIInChI=1S/C18H20ClNO/c1-12(15-5-3-4-6-17(15)19)20-18-10-8-13-7-9-14(21-2)11-16(13)18/h3-7,9,11-12,18,20H,8,10H2,1-2H3/t12-,18?/m0/s1
InChIKeyGQLFZDVYWYRLAG-RSXQAXDFSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584
N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956089
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81398619
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 81374651) is N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N[C@@H](C)c1ccccc1Cl)CC2.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GQLFZDVYWYRLAG-RSXQAXDFSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12(15-5-3-4-6-17(15)19)20-18-10-8-13-7-9-14(21-2)11-16(13)18/h3-7,9,11-12,18,20H,8,10H2,1-2H3/t12-,18?/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 301.82 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81374651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).