N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline

C16H22N2O — CID 106675276

IUPACN-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline
SMILESCOC(C)(C)CCNc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H22N2O/c1-16(2,19-3)9-10-17-14-7-6-8-15(13-14)18-11-4-5-12-18/h4-8,11-13,17H,9-10H2,1-3H3
InChIKeyAUABJTOTHJNEDM-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.70
Rot. Bonds6

About N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline

N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline (PubChem CID 106675276) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline
PubChem CID106675276
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline
SMILESCOC(C)(C)CCNc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H22N2O/c1-16(2,19-3)9-10-17-14-7-6-8-15(13-14)18-11-4-5-12-18/h4-8,11-13,17H,9-10H2,1-3H3
InChIKeyAUABJTOTHJNEDM-UHFFFAOYSA-N
XLogP3.70
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline 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

N-(3-methoxy-3-methylbutyl)-3-(1,2,4-triazol-4-yl)aniline
CID 106675190
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
N-(2-phenylethyl)-3-pyrrol-1-ylaniline
CID 43732988
N-(2-methylbutyl)-3-pyrrol-1-ylaniline
CID 43732946
N-(3-methoxy-3-methylbutyl)-3-propoxyaniline
CID 102975708
N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide
CID 102975691
N-(3-methoxy-3-methylbutyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 106675096
tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
CID 107244699
N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
CID 62656928
N-(3-methoxy-3-methylbutyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 106675384
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445707
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline (CID 106675276) is N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline is COC(C)(C)CCNc1cccc(-n2cccc2)c1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline?
The InChIKey is AUABJTOTHJNEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,19-3)9-10-17-14-7-6-8-15(13-14)18-11-4-5-12-18/h4-8,11-13,17H,9-10H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline?
N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline has a molecular weight of 258.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-3-pyrrol-1-ylaniline is sourced from PubChem (CID 106675276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).