4-(4-aminocyclohexyl)oxy-2-chloroaniline

C12H17ClN2O — CID 163752996

IUPAC4-(4-aminocyclohexyl)oxy-2-chloroaniline
SMILESNc1ccc(OC2CCC(N)CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h5-9H,1-4,14-15H2
InChIKeyLRQSRMMSHSHMNS-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.57
Rot. Bonds2

About 4-(4-aminocyclohexyl)oxy-2-chloroaniline

4-(4-aminocyclohexyl)oxy-2-chloroaniline (PubChem CID 163752996) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)oxy-2-chloroaniline.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)oxy-2-chloroaniline
PubChem CID163752996
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-(4-aminocyclohexyl)oxy-2-chloroaniline
SMILESNc1ccc(OC2CCC(N)CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h5-9H,1-4,14-15H2
InChIKeyLRQSRMMSHSHMNS-UHFFFAOYSA-N
XLogP2.57
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)oxy-2-chloroaniline?
The IUPAC name of 4-(4-aminocyclohexyl)oxy-2-chloroaniline (CID 163752996) is 4-(4-aminocyclohexyl)oxy-2-chloroaniline.
What is the SMILES notation for 4-(4-aminocyclohexyl)oxy-2-chloroaniline?
The canonical SMILES for 4-(4-aminocyclohexyl)oxy-2-chloroaniline is Nc1ccc(OC2CCC(N)CC2)cc1Cl.
What is the InChIKey of 4-(4-aminocyclohexyl)oxy-2-chloroaniline?
The InChIKey is LRQSRMMSHSHMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h5-9H,1-4,14-15H2.
What are the key properties of 4-(4-aminocyclohexyl)oxy-2-chloroaniline?
4-(4-aminocyclohexyl)oxy-2-chloroaniline has a molecular weight of 240.73 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)oxy-2-chloroaniline is sourced from PubChem (CID 163752996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).