N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine

C18H20ClN — CID 65405344

IUPACN-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C18H20ClN/c1-2-20-18(14-7-5-8-15(19)12-14)17-11-10-13-6-3-4-9-16(13)17/h3-9,12,17-18,20H,2,10-11H2,1H3
InChIKeyAHCNJEOOTVIXSW-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.72
Rot. Bonds4

About N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine

N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine (PubChem CID 65405344) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
PubChem CID65405344
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C18H20ClN/c1-2-20-18(14-7-5-8-15(19)12-14)17-11-10-13-6-3-4-9-16(13)17/h3-9,12,17-18,20H,2,10-11H2,1H3
InChIKeyAHCNJEOOTVIXSW-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65404174
N-[2,3-dihydro-1H-inden-1-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 65403782
N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine
CID 65404758
N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811298
N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 63509295
N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811418
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65404182
N-[2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130973
N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688144
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 66394948

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine (CID 65405344) is N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)C1CCc2ccccc21.
What is the InChIKey of N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine?
The InChIKey is AHCNJEOOTVIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-2-20-18(14-7-5-8-15(19)12-14)17-11-10-13-6-3-4-9-16(13)17/h3-9,12,17-18,20H,2,10-11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine?
N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine has a molecular weight of 285.82 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine is sourced from PubChem (CID 65405344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).