2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline

C15H25NO — CID 142405279

IUPAC2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline
SMILESCCC(C)(CC)c1cccc(N(C)C)c1OC
InChIInChI=1S/C15H25NO/c1-7-15(3,8-2)12-10-9-11-13(16(4)5)14(12)17-6/h9-11H,7-8H2,1-6H3
InChIKeyPQIPBDCCSVIFCR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.84
Rot. Bonds5

About 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline

2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline (PubChem CID 142405279) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline
PubChem CID142405279
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline
SMILESCCC(C)(CC)c1cccc(N(C)C)c1OC
InChIInChI=1S/C15H25NO/c1-7-15(3,8-2)12-10-9-11-13(16(4)5)14(12)17-6/h9-11H,7-8H2,1-6H3
InChIKeyPQIPBDCCSVIFCR-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(dimethylamino)phenyl]pentan-3-ol
CID 91656496
2-methoxy-N,N-dimethyl-3-prop-1-en-2-ylaniline
CID 173049166
2,3-diethoxy-N,N-dimethylaniline
CID 150665262
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
ethyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 14290422
2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol
CID 105426357
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline
CID 89356665
4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol
CID 89072606
2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol
CID 58910049
2-(3,5-dimethoxyphenoxy)-3-(dimethylamino)phenol
CID 56978790

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline?
The IUPAC name of 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline (CID 142405279) is 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline?
The canonical SMILES for 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline is CCC(C)(CC)c1cccc(N(C)C)c1OC.
What is the InChIKey of 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline?
The InChIKey is PQIPBDCCSVIFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-7-15(3,8-2)12-10-9-11-13(16(4)5)14(12)17-6/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline?
2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline has a molecular weight of 235.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-3-(3-methylpentan-3-yl)aniline is sourced from PubChem (CID 142405279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).