N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

C15H24N2O — CID 113227158

IUPACN-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCCOc1cccc(CNCC2CCCN2C)c1
InChIInChI=1S/C15H24N2O/c1-3-18-15-8-4-6-13(10-15)11-16-12-14-7-5-9-17(14)2/h4,6,8,10,14,16H,3,5,7,9,11-12H2,1-2H3
InChIKeyPRVIUWVETDKZFF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 113227158) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID113227158
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCCOc1cccc(CNCC2CCCN2C)c1
InChIInChI=1S/C15H24N2O/c1-3-18-15-8-4-6-13(10-15)11-16-12-14-7-5-9-17(14)2/h4,6,8,10,14,16H,3,5,7,9,11-12H2,1-2H3
InChIKeyPRVIUWVETDKZFF-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 106024147
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127232
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
CID 29241340
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine
CID 63897239
2-[3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 43764758
N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60872169
N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine
CID 115625903
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 51986497
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 78942849

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine (CID 113227158) is N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is CCOc1cccc(CNCC2CCCN2C)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is PRVIUWVETDKZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-15-8-4-6-13(10-15)11-16-12-14-7-5-9-17(14)2/h4,6,8,10,14,16H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 113227158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).