4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine

C16H26N2O — CID 83982060

IUPAC4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
SMILESCCOc1ccc(N2CCC(CCC(C)N)C2)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-16-8-6-15(7-9-16)18-11-10-14(12-18)5-4-13(2)17/h6-9,13-14H,3-5,10-12,17H2,1-2H3
InChIKeyLFVQOJLAPZUFBG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.04
Rot. Bonds6

About 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine

4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine (PubChem CID 83982060) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine.

Molecular Properties

Compound Name4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
PubChem CID83982060
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
SMILESCCOc1ccc(N2CCC(CCC(C)N)C2)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-16-8-6-15(7-9-16)18-11-10-14(12-18)5-4-13(2)17/h6-9,13-14H,3-5,10-12,17H2,1-2H3
InChIKeyLFVQOJLAPZUFBG-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.04
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-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038
methyl 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83982053
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
2-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]butanoic acid
CID 83982051
tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate
CID 83982069
propan-2-yl 1-(4-ethoxyphenyl)pyrrolidine-3-carboxylate
CID 83982034
N-methyl-2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-3-yl]ethanamine
CID 112514852
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981718

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine?
The IUPAC name of 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine (CID 83982060) is 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine.
What is the SMILES notation for 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine?
The canonical SMILES for 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine is CCOc1ccc(N2CCC(CCC(C)N)C2)cc1.
What is the InChIKey of 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine?
The InChIKey is LFVQOJLAPZUFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16-8-6-15(7-9-16)18-11-10-14(12-18)5-4-13(2)17/h6-9,13-14H,3-5,10-12,17H2,1-2H3.
What are the key properties of 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine?
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine is sourced from PubChem (CID 83982060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).