N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline

C15H24N2O — CID 115208162

IUPACN-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCC(C)Oc1ccc(N(C)CC2CCCN2)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)18-15-8-6-14(7-9-15)17(3)11-13-5-4-10-16-13/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyVLZZGTOLUZRIES-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline

N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 115208162) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID115208162
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCC(C)Oc1ccc(N(C)CC2CCCN2)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)18-15-8-6-14(7-9-15)17(3)11-13-5-4-10-16-13/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyVLZZGTOLUZRIES-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)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

4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642118
N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106618597
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol
CID 84674469
4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602440
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline (CID 115208162) is N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline is CC(C)Oc1ccc(N(C)CC2CCCN2)cc1.
What is the InChIKey of N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is VLZZGTOLUZRIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)18-15-8-6-14(7-9-15)17(3)11-13-5-4-10-16-13/h6-9,12-13,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline?
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 115208162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).