3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline

C15H21Cl2N — CID 114275891

IUPAC3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline
SMILESCC(C)CCC(Nc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C15H21Cl2N/c1-10(2)3-6-15(11-4-5-11)18-14-8-12(16)7-13(17)9-14/h7-11,15,18H,3-6H2,1-2H3
InChIKeyLYFIPCOVDOIIPA-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.62
Rot. Bonds6

About 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline

3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline (PubChem CID 114275891) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline
PubChem CID114275891
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline
SMILESCC(C)CCC(Nc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C15H21Cl2N/c1-10(2)3-6-15(11-4-5-11)18-14-8-12(16)7-13(17)9-14/h7-11,15,18H,3-6H2,1-2H3
InChIKeyLYFIPCOVDOIIPA-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline?
The IUPAC name of 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline (CID 114275891) is 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline is CC(C)CCC(Nc1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline?
The InChIKey is LYFIPCOVDOIIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-10(2)3-6-15(11-4-5-11)18-14-8-12(16)7-13(17)9-14/h7-11,15,18H,3-6H2,1-2H3.
What are the key properties of 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline?
3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline has a molecular weight of 286.25 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline is sourced from PubChem (CID 114275891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).