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

C17H18ClN — CID 81377462

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C17H18ClN/c1-12(14-7-4-5-9-16(14)18)19-17-11-10-13-6-2-3-8-15(13)17/h2-9,12,17,19H,10-11H2,1H3/t12-,17?/m1/s1
InChIKeyMJHYXYAAIWGLSO-MTATWXBHSA-N
MW271.79 g/mol
LogP4.68
Rot. Bonds3

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

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81377462) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81377462
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C17H18ClN/c1-12(14-7-4-5-9-16(14)18)19-17-11-10-13-6-2-3-8-15(13)17/h2-9,12,17,19H,10-11H2,1H3/t12-,17?/m1/s1
InChIKeyMJHYXYAAIWGLSO-MTATWXBHSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956089
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 81374651
N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774056
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418524
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82775610
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81376952
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466625

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 81377462) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is C[C@@H](NC1CCc2ccccc21)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MJHYXYAAIWGLSO-MTATWXBHSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12(14-7-4-5-9-16(14)18)19-17-11-10-13-6-2-3-8-15(13)17/h2-9,12,17,19H,10-11H2,1H3/t12-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.79 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81377462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).