N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline

C20H24ClN — CID 166894542

IUPACN-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline
SMILESCCCCN(C)c1cccc(-c2cccc3c2CCC3)c1Cl
InChIInChI=1S/C20H24ClN/c1-3-4-14-22(2)19-13-7-12-18(20(19)21)17-11-6-9-15-8-5-10-16(15)17/h6-7,9,11-13H,3-5,8,10,14H2,1-2H3
InChIKeyUTXKNFZJJOMBMC-UHFFFAOYSA-N
MW313.87 g/mol
LogP5.73
Rot. Bonds5

About N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline

N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline (PubChem CID 166894542) has the molecular formula C20H24ClN and a molecular weight of 313.87 g/mol. Its IUPAC name is N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline.

Molecular Properties

Compound NameN-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline
PubChem CID166894542
Molecular FormulaC20H24ClN
Molecular Weight313.87 g/mol
Exact Mass313.16
IUPAC NameN-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline
SMILESCCCCN(C)c1cccc(-c2cccc3c2CCC3)c1Cl
InChIInChI=1S/C20H24ClN/c1-3-4-14-22(2)19-13-7-12-18(20(19)21)17-11-6-9-15-8-5-10-16(15)17/h6-7,9,11-13H,3-5,8,10,14H2,1-2H3
InChIKeyUTXKNFZJJOMBMC-UHFFFAOYSA-N
XLogP5.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.87
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline?
The IUPAC name of N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline (CID 166894542) is N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline.
What is the SMILES notation for N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline?
The canonical SMILES for N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline is CCCCN(C)c1cccc(-c2cccc3c2CCC3)c1Cl.
What is the InChIKey of N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline?
The InChIKey is UTXKNFZJJOMBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN/c1-3-4-14-22(2)19-13-7-12-18(20(19)21)17-11-6-9-15-8-5-10-16(15)17/h6-7,9,11-13H,3-5,8,10,14H2,1-2H3.
What are the key properties of N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline?
N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline has a molecular weight of 313.87 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-3-(2,3-dihydro-1H-inden-4-yl)-N-methylaniline is sourced from PubChem (CID 166894542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).