1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine

C16H26N2 — CID 79188749

IUPAC1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(C(C)N)N2CC(C)C(C)C2)c1
InChIInChI=1S/C16H26N2/c1-11-6-5-7-15(8-11)16(14(4)17)18-9-12(2)13(3)10-18/h5-8,12-14,16H,9-10,17H2,1-4H3
InChIKeyBSNDSOFIUBJXQC-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.97
Rot. Bonds3

About 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine

1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine (PubChem CID 79188749) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
PubChem CID79188749
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(C(C)N)N2CC(C)C(C)C2)c1
InChIInChI=1S/C16H26N2/c1-11-6-5-7-15(8-11)16(14(4)17)18-9-12(2)13(3)10-18/h5-8,12-14,16H,9-10,17H2,1-4H3
InChIKeyBSNDSOFIUBJXQC-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 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

[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932113
1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
4-[2-amino-1-(3-methylphenyl)propyl]piperazine-2,6-dione
CID 66085437
1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
CID 106667892
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine
CID 55020075
1-[2-amino-1-(3-methylphenyl)propyl]-1,4-diazepan-5-one
CID 55136222
8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763409
1-(3-bromophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79189044
1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 107390702
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine (CID 79188749) is 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine is Cc1cccc(C(C(C)N)N2CC(C)C(C)C2)c1.
What is the InChIKey of 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
The InChIKey is BSNDSOFIUBJXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-6-5-7-15(8-11)16(14(4)17)18-9-12(2)13(3)10-18/h5-8,12-14,16H,9-10,17H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine 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 1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 79188749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).