2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline

C15H21Cl2N — CID 67961646

IUPAC2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline
SMILESCC(C)N(c1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-11(2)18(13-6-4-3-5-7-13)15-9-8-12(16)10-14(15)17/h8-11,13H,3-7H2,1-2H3
InChIKeyHNHULRUESIGBNZ-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.54
Rot. Bonds3

About 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline

2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline (PubChem CID 67961646) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline
PubChem CID67961646
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline
SMILESCC(C)N(c1ccc(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-11(2)18(13-6-4-3-5-7-13)15-9-8-12(16)10-14(15)17/h8-11,13H,3-7H2,1-2H3
InChIKeyHNHULRUESIGBNZ-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline?
The IUPAC name of 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline (CID 67961646) is 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline.
What is the SMILES notation for 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline?
The canonical SMILES for 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline is CC(C)N(c1ccc(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline?
The InChIKey is HNHULRUESIGBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-11(2)18(13-6-4-3-5-7-13)15-9-8-12(16)10-14(15)17/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline?
2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline has a molecular weight of 286.25 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline is sourced from PubChem (CID 67961646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).