2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine

C16H26N2 — CID 62120126

IUPAC2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1N1CCCC1
InChIInChI=1S/C16H26N2/c1-13-11-14(12-17-16(2,3)4)7-8-15(13)18-9-5-6-10-18/h7-8,11,17H,5-6,9-10,12H2,1-4H3
InChIKeyGNSIOJWPZBRPGX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.48
Rot. Bonds3

About 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine

2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine (PubChem CID 62120126) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
PubChem CID62120126
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1N1CCCC1
InChIInChI=1S/C16H26N2/c1-13-11-14(12-17-16(2,3)4)7-8-15(13)18-9-5-6-10-18/h7-8,11,17H,5-6,9-10,12H2,1-4H3
InChIKeyGNSIOJWPZBRPGX-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120829
N-[[4-(azepan-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63061231
N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62121366
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 64597182
1-[4-(chloromethyl)-2-methylphenyl]azocane
CID 63539921
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
CID 81194556
N-[[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060084
2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120673
N-methyl-1-[3-methyl-4-(4-methylazepan-1-yl)phenyl]methanamine
CID 63624111
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63070362
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine (CID 62120126) is 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine is Cc1cc(CNC(C)(C)C)ccc1N1CCCC1.
What is the InChIKey of 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
The InChIKey is GNSIOJWPZBRPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-11-14(12-17-16(2,3)4)7-8-15(13)18-9-5-6-10-18/h7-8,11,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 62120126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).