2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine

C17H28N2 — CID 105347946

IUPAC2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(CN2CC(C)C(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-13(9-18-4)17-7-5-16(6-8-17)12-19-10-14(2)15(3)11-19/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyBZFCTQXBHXQMMO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine

2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine (PubChem CID 105347946) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
PubChem CID105347946
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(CN2CC(C)C(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-13(9-18-4)17-7-5-16(6-8-17)12-19-10-14(2)15(3)11-19/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyBZFCTQXBHXQMMO-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347692
2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347648
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]-N-ethylpropan-1-amine
CID 105348050
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105346519
methyl 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]benzoate
CID 79038440
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 138715501
N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347715
N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346333
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
CID 119900601
2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
CID 105348988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine (CID 105347946) is 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine is CNCC(C)c1ccc(CN2CC(C)C(C)C2)cc1.
What is the InChIKey of 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is BZFCTQXBHXQMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(9-18-4)17-7-5-16(6-8-17)12-19-10-14(2)15(3)11-19/h5-8,13-15,18H,9-12H2,1-4H3.
What are the key properties of 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 105347946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).