2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline

C19H23Cl2N — CID 54852650

IUPAC2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
SMILESCC(C)Cc1ccc(C(C)CNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H23Cl2N/c1-13(2)11-15-7-9-16(10-8-15)14(3)12-22-18-6-4-5-17(20)19(18)21/h4-10,13-14,22H,11-12H2,1-3H3
InChIKeyFCBUKAHUTFJSRW-UHFFFAOYSA-N
MW336.31 g/mol
LogP6.41
Rot. Bonds6

About 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline

2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline (PubChem CID 54852650) has the molecular formula C19H23Cl2N and a molecular weight of 336.31 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
PubChem CID54852650
Molecular FormulaC19H23Cl2N
Molecular Weight336.31 g/mol
Exact Mass335.12
IUPAC Name2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
SMILESCC(C)Cc1ccc(C(C)CNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H23Cl2N/c1-13(2)11-15-7-9-16(10-8-15)14(3)12-22-18-6-4-5-17(20)19(18)21/h4-10,13-14,22H,11-12H2,1-3H3
InChIKeyFCBUKAHUTFJSRW-UHFFFAOYSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.31
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The IUPAC name of 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline (CID 54852650) is 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline is CC(C)Cc1ccc(C(C)CNc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The InChIKey is FCBUKAHUTFJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N/c1-13(2)11-15-7-9-16(10-8-15)14(3)12-22-18-6-4-5-17(20)19(18)21/h4-10,13-14,22H,11-12H2,1-3H3.
What are the key properties of 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline has a molecular weight of 336.31 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline is sourced from PubChem (CID 54852650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).