N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine

C18H20ClNO — CID 81152008

IUPACN-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc3c(c2)CCC3)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-2-20-12-13-6-9-18(17(19)10-13)21-16-8-7-14-4-3-5-15(14)11-16/h6-11,20H,2-5,12H2,1H3
InChIKeyAIAODTIXYISILO-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.73
Rot. Bonds5

About N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine

N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine (PubChem CID 81152008) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
PubChem CID81152008
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc3c(c2)CCC3)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-2-20-12-13-6-9-18(17(19)10-13)21-16-8-7-14-4-3-5-15(14)11-16/h6-11,20H,2-5,12H2,1H3
InChIKeyAIAODTIXYISILO-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine
CID 81152018
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methyl]ethanamine
CID 63552028
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
CID 81151403
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methyl]ethanamine
CID 81250662
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81255357
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine (CID 81152008) is N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine is CCNCc1ccc(Oc2ccc3c(c2)CCC3)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine?
The InChIKey is AIAODTIXYISILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-2-20-12-13-6-9-18(17(19)10-13)21-16-8-7-14-4-3-5-15(14)11-16/h6-11,20H,2-5,12H2,1H3.
What are the key properties of N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine?
N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine has a molecular weight of 301.82 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 81152008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).