N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine

C16H26N2O — CID 115118686

IUPACN-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(N(C)C2CCNC2)cc1C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-10-12(6-7-15(14)19-5)18(4)13-8-9-17-11-13/h6-7,10,13,17H,8-9,11H2,1-5H3
InChIKeyKFYCGBYGSACTCV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds3

About N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine

N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine (PubChem CID 115118686) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine
PubChem CID115118686
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(N(C)C2CCNC2)cc1C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-10-12(6-7-15(14)19-5)18(4)13-8-9-17-11-13/h6-7,10,13,17H,8-9,11H2,1-5H3
InChIKeyKFYCGBYGSACTCV-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
CID 117040526
N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine
CID 115118772
N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 115118753
3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
CID 82498615
5-methoxy-N,2-dimethyl-N-pyrrolidin-3-ylpyridin-4-amine
CID 106660833
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-(3-tert-butyl-4-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193388
2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131743
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298346
2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
CID 81279435

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine (CID 115118686) is N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine is COc1ccc(N(C)C2CCNC2)cc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine?
The InChIKey is KFYCGBYGSACTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)14-10-12(6-7-15(14)19-5)18(4)13-8-9-17-11-13/h6-7,10,13,17H,8-9,11H2,1-5H3.
What are the key properties of N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine?
N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115118686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).