4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline

C13H15ClN2O — CID 66408910

IUPAC4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESCOc1cc(Cl)c(C)cc1NCc1cc[nH]c1
InChIInChI=1S/C13H15ClN2O/c1-9-5-12(13(17-2)6-11(9)14)16-8-10-3-4-15-7-10/h3-7,15-16H,8H2,1-2H3
InChIKeyFMHNXHWLUZVJRM-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.60
Rot. Bonds4

About 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline

4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline (PubChem CID 66408910) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
PubChem CID66408910
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESCOc1cc(Cl)c(C)cc1NCc1cc[nH]c1
InChIInChI=1S/C13H15ClN2O/c1-9-5-12(13(17-2)6-11(9)14)16-8-10-3-4-15-7-10/h3-7,15-16H,8H2,1-2H3
InChIKeyFMHNXHWLUZVJRM-UHFFFAOYSA-N
XLogP3.60
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 105402906
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
4-chloro-2-methoxy-5-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398156
4-methoxy-2-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407677
2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol
CID 107740442
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419053
4-chloro-2-methoxy-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741991
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
CID 28529683
4-chloro-2-methoxy-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112649973
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
CID 115884099
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
CID 66387695

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
The IUPAC name of 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline (CID 66408910) is 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
The canonical SMILES for 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline is COc1cc(Cl)c(C)cc1NCc1cc[nH]c1.
What is the InChIKey of 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
The InChIKey is FMHNXHWLUZVJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-5-12(13(17-2)6-11(9)14)16-8-10-3-4-15-7-10/h3-7,15-16H,8H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline?
4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline has a molecular weight of 250.73 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline is sourced from PubChem (CID 66408910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).