2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine

C16H26N2 — CID 79069491

IUPAC2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1ccccc1C)N1CCCC1
InChIInChI=1S/C16H26N2/c1-4-16(3,18-11-7-8-12-18)15(17)14-10-6-5-9-13(14)2/h5-6,9-10,15H,4,7-8,11-12,17H2,1-3H3
InChIKeyVQEKZISYMZVMKX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.26
Rot. Bonds4

About 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine

2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79069491) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79069491
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1ccccc1C)N1CCCC1
InChIInChI=1S/C16H26N2/c1-4-16(3,18-11-7-8-12-18)15(17)14-10-6-5-9-13(14)2/h5-6,9-10,15H,4,7-8,11-12,17H2,1-3H3
InChIKeyVQEKZISYMZVMKX-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106645806
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114745701
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106881723
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065290
1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79060283
3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine
CID 79069493
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine (CID 79069491) is 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(N)c1ccccc1C)N1CCCC1.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is VQEKZISYMZVMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-16(3,18-11-7-8-12-18)15(17)14-10-6-5-9-13(14)2/h5-6,9-10,15H,4,7-8,11-12,17H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine?
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79069491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).