[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine

C14H22N2O — CID 113284170

IUPAC[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCOc1ccc(C(C)N2CCCC2CN)cc1
InChIInChI=1S/C14H22N2O/c1-11(16-9-3-4-13(16)10-15)12-5-7-14(17-2)8-6-12/h5-8,11,13H,3-4,9-10,15H2,1-2H3
InChIKeyVGCQJJHVWDDZKZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds4

About [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine

[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 113284170) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
PubChem CID113284170
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCOc1ccc(C(C)N2CCCC2CN)cc1
InChIInChI=1S/C14H22N2O/c1-11(16-9-3-4-13(16)10-15)12-5-7-14(17-2)8-6-12/h5-8,11,13H,3-4,9-10,15H2,1-2H3
InChIKeyVGCQJJHVWDDZKZ-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
CID 113284221
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65319110
2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 155011325
3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 141339325
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine (CID 113284170) is [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine is COc1ccc(C(C)N2CCCC2CN)cc1.
What is the InChIKey of [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is VGCQJJHVWDDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(16-9-3-4-13(16)10-15)12-5-7-14(17-2)8-6-12/h5-8,11,13H,3-4,9-10,15H2,1-2H3.
What are the key properties of [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine?
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 113284170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).