1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

C17H28N2 — CID 116950946

IUPAC1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1C)C1CCCN1
InChIInChI=1S/C17H28N2/c1-12-11-13(17(2,3)4)8-9-14(12)16(18-5)15-7-6-10-19-15/h8-9,11,15-16,18-19H,6-7,10H2,1-5H3
InChIKeyHAZSNVXYOHUUPV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 116950946) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID116950946
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1C)C1CCCN1
InChIInChI=1S/C17H28N2/c1-12-11-13(17(2,3)4)8-9-14(12)16(18-5)15-7-6-10-19-15/h8-9,11,15-16,18-19H,6-7,10H2,1-5H3
InChIKeyHAZSNVXYOHUUPV-UHFFFAOYSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951206
1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950924
1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950925
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
(2S)-2-[bis(4-tert-butylphenyl)methyl]pyrrolidine
CID 59628644
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950939

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 116950946) is 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is CNC(c1ccc(C(C)(C)C)cc1C)C1CCCN1.
What is the InChIKey of 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is HAZSNVXYOHUUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-11-13(17(2,3)4)8-9-14(12)16(18-5)15-7-6-10-19-15/h8-9,11,15-16,18-19H,6-7,10H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 116950946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).