3,5-dichloro-N-(3-methylcyclohexyl)aniline

C13H17Cl2N — CID 43111020

IUPAC3,5-dichloro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H17Cl2N/c1-9-3-2-4-12(5-9)16-13-7-10(14)6-11(15)8-13/h6-9,12,16H,2-5H2,1H3
InChIKeyBCGNZZQPQLDNHW-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.98
Rot. Bonds2

About 3,5-dichloro-N-(3-methylcyclohexyl)aniline

3,5-dichloro-N-(3-methylcyclohexyl)aniline (PubChem CID 43111020) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 3,5-dichloro-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(3-methylcyclohexyl)aniline
PubChem CID43111020
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name3,5-dichloro-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H17Cl2N/c1-9-3-2-4-12(5-9)16-13-7-10(14)6-11(15)8-13/h6-9,12,16H,2-5H2,1H3
InChIKeyBCGNZZQPQLDNHW-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.98
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-(3-methylcyclohexyl)aniline?
The IUPAC name of 3,5-dichloro-N-(3-methylcyclohexyl)aniline (CID 43111020) is 3,5-dichloro-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 3,5-dichloro-N-(3-methylcyclohexyl)aniline?
The InChIKey is BCGNZZQPQLDNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-9-3-2-4-12(5-9)16-13-7-10(14)6-11(15)8-13/h6-9,12,16H,2-5H2,1H3.
What are the key properties of 3,5-dichloro-N-(3-methylcyclohexyl)aniline?
3,5-dichloro-N-(3-methylcyclohexyl)aniline has a molecular weight of 258.19 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43111020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).