N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine

C16H26N2 — CID 116906341

IUPACN,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine
SMILESCc1ccc(C(C2CCCN2)N(C)C)c(C)c1C
InChIInChI=1S/C16H26N2/c1-11-8-9-14(13(3)12(11)2)16(18(4)5)15-7-6-10-17-15/h8-9,15-17H,6-7,10H2,1-5H3
InChIKeyQYPBDFAYLCQXDG-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.97
Rot. Bonds3

About N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine

N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine (PubChem CID 116906341) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine
PubChem CID116906341
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine
SMILESCc1ccc(C(C2CCCN2)N(C)C)c(C)c1C
InChIInChI=1S/C16H26N2/c1-11-8-9-14(13(3)12(11)2)16(18(4)5)15-7-6-10-17-15/h8-9,15-17H,6-7,10H2,1-5H3
InChIKeyQYPBDFAYLCQXDG-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82289931
1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82286973
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82296423
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884
N,N,2-trimethyl-1-pyrrolidin-2-ylpropan-1-amine
CID 116906314
piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
CID 116935917
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950946
1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950925
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 170905811

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine?
The IUPAC name of N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine (CID 116906341) is N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine is Cc1ccc(C(C2CCCN2)N(C)C)c(C)c1C.
What is the InChIKey of N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine?
The InChIKey is QYPBDFAYLCQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-8-9-14(13(3)12(11)2)16(18(4)5)15-7-6-10-17-15/h8-9,15-17H,6-7,10H2,1-5H3.
What are the key properties of N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine?
N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine is sourced from PubChem (CID 116906341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).