4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline

C15H22ClN — CID 55222027

IUPAC4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
SMILESCc1cc(CCl)ccc1N(C)C1CCCCC1
InChIInChI=1S/C15H22ClN/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyHPLGCLIZVHCQDC-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.50
Rot. Bonds3

About 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline

4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline (PubChem CID 55222027) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
PubChem CID55222027
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
SMILESCc1cc(CCl)ccc1N(C)C1CCCCC1
InChIInChI=1S/C15H22ClN/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyHPLGCLIZVHCQDC-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline?
The IUPAC name of 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline (CID 55222027) is 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline?
The canonical SMILES for 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline is Cc1cc(CCl)ccc1N(C)C1CCCCC1.
What is the InChIKey of 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline?
The InChIKey is HPLGCLIZVHCQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline?
4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline has a molecular weight of 251.80 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline is sourced from PubChem (CID 55222027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).