dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline

C23H27Cl2CrN — CID 174989387

IUPACdichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline
SMILESCC1=C(C)C(c2ccccc2CN(C)c2ccccc2)C(C)=C1C.Cl[Cr]Cl
InChIInChI=1S/C23H27N.2ClH.Cr/c1-16-17(2)19(4)23(18(16)3)22-14-10-9-11-20(22)15-24(5)21-12-7-6-8-13-21;;;/h6-14,23H,15H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyMNIGVDBDOSBSNW-UHFFFAOYSA-L
MW440.38 g/mol
LogP7.47
Rot. Bonds4

About dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline

dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline (PubChem CID 174989387) has the molecular formula C23H27Cl2CrN and a molecular weight of 440.38 g/mol. Its IUPAC name is dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline.

Molecular Properties

Compound Namedichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline
PubChem CID174989387
Molecular FormulaC23H27Cl2CrN
Molecular Weight440.38 g/mol
Exact Mass439.09
IUPAC Namedichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline
SMILESCC1=C(C)C(c2ccccc2CN(C)c2ccccc2)C(C)=C1C.Cl[Cr]Cl
InChIInChI=1S/C23H27N.2ClH.Cr/c1-16-17(2)19(4)23(18(16)3)22-14-10-9-11-20(22)15-24(5)21-12-7-6-8-13-21;;;/h6-14,23H,15H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyMNIGVDBDOSBSNW-UHFFFAOYSA-L
XLogP7.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline?
The IUPAC name of dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline (CID 174989387) is dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline.
What is the SMILES notation for dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline?
The canonical SMILES for dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline is CC1=C(C)C(c2ccccc2CN(C)c2ccccc2)C(C)=C1C.Cl[Cr]Cl.
What is the InChIKey of dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline?
The InChIKey is MNIGVDBDOSBSNW-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H27N.2ClH.Cr/c1-16-17(2)19(4)23(18(16)3)22-14-10-9-11-20(22)15-24(5)21-12-7-6-8-13-21;;;/h6-14,23H,15H2,1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline?
dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline has a molecular weight of 440.38 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorochromium;N-methyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline is sourced from PubChem (CID 174989387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).