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

C13H17Cl2N — CID 18778534

IUPAC3,5-dichloro-N-(cyclohexylmethyl)aniline
SMILESClc1cc(Cl)cc(NCC2CCCCC2)c1
InChIInChI=1S/C13H17Cl2N/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyZXLWBTLCSPEBBA-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.99
Rot. Bonds3

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

3,5-dichloro-N-(cyclohexylmethyl)aniline (PubChem CID 18778534) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 3,5-dichloro-N-(cyclohexylmethyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(cyclohexylmethyl)aniline
PubChem CID18778534
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name3,5-dichloro-N-(cyclohexylmethyl)aniline
SMILESClc1cc(Cl)cc(NCC2CCCCC2)c1
InChIInChI=1S/C13H17Cl2N/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyZXLWBTLCSPEBBA-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.99
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-(cyclohexylmethyl)aniline?
The IUPAC name of 3,5-dichloro-N-(cyclohexylmethyl)aniline (CID 18778534) is 3,5-dichloro-N-(cyclohexylmethyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(cyclohexylmethyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(cyclohexylmethyl)aniline is Clc1cc(Cl)cc(NCC2CCCCC2)c1.
What is the InChIKey of 3,5-dichloro-N-(cyclohexylmethyl)aniline?
The InChIKey is ZXLWBTLCSPEBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2.
What are the key properties of 3,5-dichloro-N-(cyclohexylmethyl)aniline?
3,5-dichloro-N-(cyclohexylmethyl)aniline has a molecular weight of 258.19 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(cyclohexylmethyl)aniline is sourced from PubChem (CID 18778534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).