1-(4-ethoxyphenyl)pyrrolidin-3-amine

C12H18N2O — CID 43314939

IUPAC1-(4-ethoxyphenyl)pyrrolidin-3-amine
SMILESCCOc1ccc(N2CCC(N)C2)cc1
InChIInChI=1S/C12H18N2O/c1-2-15-12-5-3-11(4-6-12)14-8-7-10(13)9-14/h3-6,10H,2,7-9,13H2,1H3
InChIKeyHSGIHXNDBCNRKO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.62
Rot. Bonds3

About 1-(4-ethoxyphenyl)pyrrolidin-3-amine

1-(4-ethoxyphenyl)pyrrolidin-3-amine (PubChem CID 43314939) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)pyrrolidin-3-amine
PubChem CID43314939
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(4-ethoxyphenyl)pyrrolidin-3-amine
SMILESCCOc1ccc(N2CCC(N)C2)cc1
InChIInChI=1S/C12H18N2O/c1-2-15-12-5-3-11(4-6-12)14-8-7-10(13)9-14/h3-6,10H,2,7-9,13H2,1H3
InChIKeyHSGIHXNDBCNRKO-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-propoxyphenyl)pyrrolidin-3-amine
CID 62329191
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
CID 83982060
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
CID 83982048
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
(3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine
CID 51663674

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(4-ethoxyphenyl)pyrrolidin-3-amine (CID 43314939) is 1-(4-ethoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)pyrrolidin-3-amine is CCOc1ccc(N2CCC(N)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)pyrrolidin-3-amine?
The InChIKey is HSGIHXNDBCNRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-15-12-5-3-11(4-6-12)14-8-7-10(13)9-14/h3-6,10H,2,7-9,13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)pyrrolidin-3-amine?
1-(4-ethoxyphenyl)pyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 43314939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).