4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline

C16H24ClN — CID 55222350

IUPAC4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCC1CCC(N(C)c2ccc(CCl)cc2)CC1
InChIInChI=1S/C16H24ClN/c1-3-13-4-8-15(9-5-13)18(2)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3
InChIKeyOOHMAJRQWVLWAU-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.83
Rot. Bonds4

About 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline

4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline (PubChem CID 55222350) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
PubChem CID55222350
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCC1CCC(N(C)c2ccc(CCl)cc2)CC1
InChIInChI=1S/C16H24ClN/c1-3-13-4-8-15(9-5-13)18(2)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3
InChIKeyOOHMAJRQWVLWAU-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
The IUPAC name of 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline (CID 55222350) is 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
The canonical SMILES for 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline is CCC1CCC(N(C)c2ccc(CCl)cc2)CC1.
What is the InChIKey of 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
The InChIKey is OOHMAJRQWVLWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-13-4-8-15(9-5-13)18(2)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline has a molecular weight of 265.83 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline is sourced from PubChem (CID 55222350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).