2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline

C18H20ClN — CID 66254017

IUPAC2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline
SMILESCc1cccc(Cl)c1NC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20ClN/c1-12-5-3-8-17(19)18(12)20-13(2)15-10-9-14-6-4-7-16(14)11-15/h3,5,8-11,13,20H,4,6-7H2,1-2H3
InChIKeyFUIXPEWPAZHDQV-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.31
Rot. Bonds3

About 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline

2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline (PubChem CID 66254017) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline
PubChem CID66254017
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline
SMILESCc1cccc(Cl)c1NC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20ClN/c1-12-5-3-8-17(19)18(12)20-13(2)15-10-9-14-6-4-7-16(14)11-15/h3,5,8-11,13,20H,4,6-7H2,1-2H3
InChIKeyFUIXPEWPAZHDQV-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol
CID 107706758
3,5-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-fluoroaniline
CID 107572608
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
CID 43124478
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117
4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
CID 106953585
2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
CID 65467192
2-chloro-4-iodo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63445713
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylpyridin-3-amine
CID 63329546
2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile
CID 43347921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline?
The IUPAC name of 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline (CID 66254017) is 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline.
What is the SMILES notation for 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline?
The canonical SMILES for 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline is Cc1cccc(Cl)c1NC(C)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline?
The InChIKey is FUIXPEWPAZHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-5-3-8-17(19)18(12)20-13(2)15-10-9-14-6-4-7-16(14)11-15/h3,5,8-11,13,20H,4,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline?
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline has a molecular weight of 285.82 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline is sourced from PubChem (CID 66254017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).