2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine

C15H24N2 — CID 116988517

IUPAC2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
SMILESCC(CN)Cc1cccc(C2CCN(C)C2)c1
InChIInChI=1S/C15H24N2/c1-12(10-16)8-13-4-3-5-14(9-13)15-6-7-17(2)11-15/h3-5,9,12,15H,6-8,10-11,16H2,1-2H3
InChIKeyDKXRDIQUXQDZIO-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine

2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine (PubChem CID 116988517) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
PubChem CID116988517
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
SMILESCC(CN)Cc1cccc(C2CCN(C)C2)c1
InChIInChI=1S/C15H24N2/c1-12(10-16)8-13-4-3-5-14(9-13)15-6-7-17(2)11-15/h3-5,9,12,15H,6-8,10-11,16H2,1-2H3
InChIKeyDKXRDIQUXQDZIO-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine
CID 117292971
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062
O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
CID 116988532
2-methyl-3-[3-(1-methylpiperidin-4-yl)phenyl]propanoic acid
CID 117408077
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
CID 176580102
CID 176580102
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
CID 115032201
3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine
CID 115040370
2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
CID 117368932
CID 176580101
CID 176580101

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine?
The IUPAC name of 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine (CID 116988517) is 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine is CC(CN)Cc1cccc(C2CCN(C)C2)c1.
What is the InChIKey of 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine?
The InChIKey is DKXRDIQUXQDZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(10-16)8-13-4-3-5-14(9-13)15-6-7-17(2)11-15/h3-5,9,12,15H,6-8,10-11,16H2,1-2H3.
What are the key properties of 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine?
2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine is sourced from PubChem (CID 116988517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).