N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine

C16H26N2 — CID 115118753

IUPACN-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine
SMILESCc1cc(C(C)(C)C)ccc1N(C)C1CCNC1
InChIInChI=1S/C16H26N2/c1-12-10-13(16(2,3)4)6-7-15(12)18(5)14-8-9-17-11-14/h6-7,10,14,17H,8-9,11H2,1-5H3
InChIKeyLAFAMROQONOOSD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.09
Rot. Bonds2

About N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine

N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine (PubChem CID 115118753) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine
PubChem CID115118753
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine
SMILESCc1cc(C(C)(C)C)ccc1N(C)C1CCNC1
InChIInChI=1S/C16H26N2/c1-12-10-13(16(2,3)4)6-7-15(12)18(5)14-8-9-17-11-14/h6-7,10,14,17H,8-9,11H2,1-5H3
InChIKeyLAFAMROQONOOSD-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-N-methylpyrrolidin-3-amine
CID 78989080
4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208714
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-amine
CID 115118743
N-methyl-N-(2-methyl-5-nitrophenyl)pyrrolidin-3-amine
CID 63301746
N-(4,5-dimethyl-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 114281474
N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 115118686
3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
N-methyl-N-(2,4,5-trimethylphenyl)azetidin-3-amine
CID 117040590
N-methyl-N-(2-methyl-4-nitrophenyl)azepan-4-amine
CID 107173916
N-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidin-3-amine
CID 63301254
2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
CID 81279435
2-(4-tert-butyl-N,2-dimethylanilino)cyclopropane-1-carboxylic acid
CID 117042600

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine (CID 115118753) is N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine is Cc1cc(C(C)(C)C)ccc1N(C)C1CCNC1.
What is the InChIKey of N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine?
The InChIKey is LAFAMROQONOOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-10-13(16(2,3)4)6-7-15(12)18(5)14-8-9-17-11-14/h6-7,10,14,17H,8-9,11H2,1-5H3.
What are the key properties of N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine?
N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115118753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).