5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline

C19H22ClN3 — CID 141398664

IUPAC5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1cc(Cl)ccc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C19H22ClN3/c1-13(2)12-22(3)19-10-16(20)6-7-17(19)14-5-8-18-15(9-14)11-21-23(18)4/h5-11,13H,12H2,1-4H3
InChIKeyVHQQRPCCKFAUAB-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.99
Rot. Bonds4

About 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline

5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline (PubChem CID 141398664) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline
PubChem CID141398664
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1cc(Cl)ccc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C19H22ClN3/c1-13(2)12-22(3)19-10-16(20)6-7-17(19)14-5-8-18-15(9-14)11-21-23(18)4/h5-11,13H,12H2,1-4H3
InChIKeyVHQQRPCCKFAUAB-UHFFFAOYSA-N
XLogP4.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N,N-bis(2-methylpropyl)indazol-5-amine
CID 59514046
1-methyl-N-(3-methylbutyl)-N-(2-methylpropyl)indazol-5-amine
CID 59514114
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-5-amine
CID 59514230
4-chloro-2-[methyl(2-methylpropyl)amino]benzonitrile
CID 63094076
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
3-[2-chloro-5-(1-methylindazol-5-yl)-4-(2-methylpropylamino)phenyl]propanoic acid
CID 66877832
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
4-[1-[5-(4-chloro-2-methylphenyl)indazol-1-yl]-3-methylbutyl]benzamide
CID 175244870
N-(2-ethylbutyl)-1-methyl-N-(3-methylbutyl)indazol-5-amine
CID 59514051
2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
CID 114860497
5-(3-fluorophenyl)-1-methylindazole
CID 134375389

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline?
The IUPAC name of 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline (CID 141398664) is 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline.
What is the SMILES notation for 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline?
The canonical SMILES for 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline is CC(C)CN(C)c1cc(Cl)ccc1-c1ccc2c(cnn2C)c1.
What is the InChIKey of 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline?
The InChIKey is VHQQRPCCKFAUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-13(2)12-22(3)19-10-16(20)6-7-17(19)14-5-8-18-15(9-14)11-21-23(18)4/h5-11,13H,12H2,1-4H3.
What are the key properties of 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline?
5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline has a molecular weight of 327.86 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-(1-methylindazol-5-yl)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 141398664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).