N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine

C17H28N2O — CID 60855495

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCC1CCN(CC)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-17(15-6-8-16(20-3)9-7-15)18-12-14-10-11-19(5-2)13-14/h6-9,14,17-18H,4-5,10-13H2,1-3H3
InChIKeyXENQXFNQEPKKMO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.08
Rot. Bonds7

About N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 60855495) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
PubChem CID60855495
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCC1CCN(CC)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-17(15-6-8-16(20-3)9-7-15)18-12-14-10-11-19(5-2)13-14/h6-9,14,17-18H,4-5,10-13H2,1-3H3
InChIKeyXENQXFNQEPKKMO-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61208115
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
1-(3-bromo-4-methoxyphenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 60857351
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-[3-(4-methoxyphenyl)butyl]-2-methylguanidine
CID 111641492
4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60855843
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 60857089
4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60857322
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine (CID 60855495) is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine is CCC(NCC1CCN(CC)C1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is XENQXFNQEPKKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17(15-6-8-16(20-3)9-7-15)18-12-14-10-11-19(5-2)13-14/h6-9,14,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 60855495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).