N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine

C15H24N2O — CID 60872169

IUPACN-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCOc1cccc(CNCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-18-15-7-5-6-14(12-15)13-16-8-11-17-9-3-4-10-17/h5-7,12,16H,2-4,8-11,13H2,1H3
InChIKeyNSOHXNXQFHQKTP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 60872169) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID60872169
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCOc1cccc(CNCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-2-18-15-7-5-6-14(12-15)13-16-8-11-17-9-3-4-10-17/h5-7,12,16H,2-4,8-11,13H2,1H3
InChIKeyNSOHXNXQFHQKTP-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 60956669
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
N-[(3-ethoxyphenyl)methyl]but-3-yn-1-amine
CID 63654869
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
CID 63055726
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 17208568
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine (CID 60872169) is N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine is CCOc1cccc(CNCCN2CCCC2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is NSOHXNXQFHQKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-18-15-7-5-6-14(12-15)13-16-8-11-17-9-3-4-10-17/h5-7,12,16H,2-4,8-11,13H2,1H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 60872169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).