3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline

C14H16Cl2N2 — CID 66399850

IUPAC3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H16Cl2N2/c1-2-4-18-5-3-11(10-18)9-17-14-7-12(15)6-13(16)8-14/h3,5-8,10,17H,2,4,9H2,1H3
InChIKeyAHWPDHSDXLPRFQ-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.82
Rot. Bonds5

About 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline

3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline (PubChem CID 66399850) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
PubChem CID66399850
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H16Cl2N2/c1-2-4-18-5-3-11(10-18)9-17-14-7-12(15)6-13(16)8-14/h3,5-8,10,17H,2,4,9H2,1H3
InChIKeyAHWPDHSDXLPRFQ-UHFFFAOYSA-N
XLogP4.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399461
3-chloro-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66397516
4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039
2-chloro-4-[(1-propylpyrrol-3-yl)methylamino]benzonitrile
CID 66397556
3-chloro-4-propoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66414383
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66398631
4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398402
2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66400502
3-bromo-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416185
methyl 4-chloro-2-[(1-propylpyrrol-3-yl)methylamino]benzoate
CID 66400303
2-bromo-6-chloro-4-fluoro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 107610291
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416311

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline (CID 66399850) is 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline is CCCn1ccc(CNc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The InChIKey is AHWPDHSDXLPRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-2-4-18-5-3-11(10-18)9-17-14-7-12(15)6-13(16)8-14/h3,5-8,10,17H,2,4,9H2,1H3.
What are the key properties of 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline?
3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline has a molecular weight of 283.20 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66399850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).