2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline

C14H15Cl3N2 — CID 66399461

IUPAC2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C14H15Cl3N2/c1-2-4-19-5-3-10(9-19)8-18-14-12(16)6-11(15)7-13(14)17/h3,5-7,9,18H,2,4,8H2,1H3
InChIKeyVLBDGRGSJKKCCT-UHFFFAOYSA-N
MW317.65 g/mol
LogP5.47
Rot. Bonds5

About 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline

2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline (PubChem CID 66399461) has the molecular formula C14H15Cl3N2 and a molecular weight of 317.65 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
PubChem CID66399461
Molecular FormulaC14H15Cl3N2
Molecular Weight317.65 g/mol
Exact Mass316.03
IUPAC Name2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C14H15Cl3N2/c1-2-4-19-5-3-10(9-19)8-18-14-12(16)6-11(15)7-13(14)17/h3,5-7,9,18H,2,4,8H2,1H3
InChIKeyVLBDGRGSJKKCCT-UHFFFAOYSA-N
XLogP5.47
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.65
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399850
2-bromo-6-chloro-4-fluoro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 107610291
2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66400502
3-chloro-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66397516
2-chloro-4-[(1-propylpyrrol-3-yl)methylamino]benzonitrile
CID 66397556
4-chloro-2-methoxy-5-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398156
3-chloro-4-propoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66414383
4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039
methyl 4-chloro-2-[(1-propylpyrrol-3-yl)methylamino]benzoate
CID 66400303
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine
CID 82720010
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66398631
5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399856

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline (CID 66399461) is 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline is CCCn1ccc(CNc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The InChIKey is VLBDGRGSJKKCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2/c1-2-4-19-5-3-10(9-19)8-18-14-12(16)6-11(15)7-13(14)17/h3,5-7,9,18H,2,4,8H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline has a molecular weight of 317.65 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66399461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).