N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine

C18H20ClN — CID 43488967

IUPACN-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20ClN/c1-2-20-18(14-8-10-17(19)11-9-14)16-7-6-13-4-3-5-15(13)12-16/h6-12,18,20H,2-5H2,1H3
InChIKeyYFMIHSLHUJVTAB-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.53
Rot. Bonds4

About N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine

N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine (PubChem CID 43488967) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
PubChem CID43488967
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20ClN/c1-2-20-18(14-8-10-17(19)11-9-14)16-7-6-13-4-3-5-15(13)12-16/h6-12,18,20H,2-5H2,1H3
InChIKeyYFMIHSLHUJVTAB-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 107998636
N-[(2-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 43488296
N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 104851214
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43491715
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488394
N-[2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methyl]ethanamine
CID 43491773
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 63508658
N-[(3-chloro-4-iodophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 103220344
N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503764

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine (CID 43488967) is N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
The InChIKey is YFMIHSLHUJVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-2-20-18(14-8-10-17(19)11-9-14)16-7-6-13-4-3-5-15(13)12-16/h6-12,18,20H,2-5H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine has a molecular weight of 285.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine is sourced from PubChem (CID 43488967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).