2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline

C15H22ClNO — CID 107630674

IUPAC2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline
SMILESCCOC1CC(Nc2cc(C)ccc2Cl)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-5-18-14-9-13(15(14,3)4)17-12-8-10(2)6-7-11(12)16/h6-8,13-14,17H,5,9H2,1-4H3
InChIKeyRKUPSNWFFMYCSQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.26
Rot. Bonds4

About 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline

2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline (PubChem CID 107630674) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline
PubChem CID107630674
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline
SMILESCCOC1CC(Nc2cc(C)ccc2Cl)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-5-18-14-9-13(15(14,3)4)17-12-8-10(2)6-7-11(12)16/h6-8,13-14,17H,5,9H2,1-4H3
InChIKeyRKUPSNWFFMYCSQ-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline?
The IUPAC name of 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline (CID 107630674) is 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline.
What is the SMILES notation for 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline?
The canonical SMILES for 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline is CCOC1CC(Nc2cc(C)ccc2Cl)C1(C)C.
What is the InChIKey of 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline?
The InChIKey is RKUPSNWFFMYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-5-18-14-9-13(15(14,3)4)17-12-8-10(2)6-7-11(12)16/h6-8,13-14,17H,5,9H2,1-4H3.
What are the key properties of 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline?
2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline has a molecular weight of 267.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline is sourced from PubChem (CID 107630674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).