[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine

C15H24N2O — CID 81279315

IUPAC[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
SMILESCc1cc(OCCC2CCCN2C)ccc1CN
InChIInChI=1S/C15H24N2O/c1-12-10-15(6-5-13(12)11-16)18-9-7-14-4-3-8-17(14)2/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3
InChIKeyGYGLSTBQCMNLDU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds5

About [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine

[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine (PubChem CID 81279315) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
PubChem CID81279315
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
SMILESCc1cc(OCCC2CCCN2C)ccc1CN
InChIInChI=1S/C15H24N2O/c1-12-10-15(6-5-13(12)11-16)18-9-7-14-4-3-8-17(14)2/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3
InChIKeyGYGLSTBQCMNLDU-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
CID 62458293
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911135
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 107913167
6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287501

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine (CID 81279315) is [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine is Cc1cc(OCCC2CCCN2C)ccc1CN.
What is the InChIKey of [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is GYGLSTBQCMNLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-10-15(6-5-13(12)11-16)18-9-7-14-4-3-8-17(14)2/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3.
What are the key properties of [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine?
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 81279315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).