[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine

C17H26ClNO — CID 43530896

IUPAC[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Oc2ccc(Cl)c(C)c2)C1
InChIInChI=1S/C17H26ClNO/c1-3-4-13-5-6-14(11-19)17(10-13)20-15-7-8-16(18)12(2)9-15/h7-9,13-14,17H,3-6,10-11,19H2,1-2H3
InChIKeyLGBRKPJVMHOYQU-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.57
Rot. Bonds5

About [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine

[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine (PubChem CID 43530896) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine
PubChem CID43530896
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Oc2ccc(Cl)c(C)c2)C1
InChIInChI=1S/C17H26ClNO/c1-3-4-13-5-6-14(11-19)17(10-13)20-15-7-8-16(18)12(2)9-15/h7-9,13-14,17H,3-6,10-11,19H2,1-2H3
InChIKeyLGBRKPJVMHOYQU-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine (CID 43530896) is [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Oc2ccc(Cl)c(C)c2)C1.
What is the InChIKey of [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is LGBRKPJVMHOYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-4-13-5-6-14(11-19)17(10-13)20-15-7-8-16(18)12(2)9-15/h7-9,13-14,17H,3-6,10-11,19H2,1-2H3.
What are the key properties of [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine?
[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 295.85 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43530896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).