4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline

C17H26ClNO2 — CID 107447764

IUPAC4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCOc1cc(NC2CCCC(C(C)C)C2)c(OC)cc1Cl
InChIInChI=1S/C17H26ClNO2/c1-11(2)12-6-5-7-13(8-12)19-15-10-16(20-3)14(18)9-17(15)21-4/h9-13,19H,5-8H2,1-4H3
InChIKeyWCXTTZAYCPRDIK-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.98
Rot. Bonds5

About 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline

4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107447764) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107447764
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCOc1cc(NC2CCCC(C(C)C)C2)c(OC)cc1Cl
InChIInChI=1S/C17H26ClNO2/c1-11(2)12-6-5-7-13(8-12)19-15-10-16(20-3)14(18)9-17(15)21-4/h9-13,19H,5-8H2,1-4H3
InChIKeyWCXTTZAYCPRDIK-UHFFFAOYSA-N
XLogP4.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline (CID 107447764) is 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline is COc1cc(NC2CCCC(C(C)C)C2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is WCXTTZAYCPRDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-11(2)12-6-5-7-13(8-12)19-15-10-16(20-3)14(18)9-17(15)21-4/h9-13,19H,5-8H2,1-4H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline?
4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 311.85 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107447764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).