[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine

C15H24N2O — CID 62327372

IUPAC[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCCC(C)Oc1cccc(N2CCC(CN)C2)c1
InChIInChI=1S/C15H24N2O/c1-3-12(2)18-15-6-4-5-14(9-15)17-8-7-13(10-16)11-17/h4-6,9,12-13H,3,7-8,10-11,16H2,1-2H3
InChIKeyNFBIUYIOPDINKK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.65
Rot. Bonds5

About [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine

[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 62327372) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine
PubChem CID62327372
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCCC(C)Oc1cccc(N2CCC(CN)C2)c1
InChIInChI=1S/C15H24N2O/c1-3-12(2)18-15-6-4-5-14(9-15)17-8-7-13(10-16)11-17/h4-6,9,12-13H,3,7-8,10-11,16H2,1-2H3
InChIKeyNFBIUYIOPDINKK-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81430
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CID 74625
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CID 24750193
Benzenamine, 3-(3-(4-phenyl-1-piperazinyl)propoxy)-
CID 55413
3-(3-Methoxyanilino)propanenitrile
CID 2302549
N-ethyl-3-methoxyaniline
CID 586008
N,N-Diethyl-m-anisidine
CID 66697
N-{3-[3-(acetylamino)phenoxy]propyl}cyclobutanecarboxamide
CID 2810838
N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 6470002
N-[(S)-1-(3-Methoxy-phenyl)-pyrrolidin-3-yl]-butyramide
CID 25270146
N-Methyl-m-anisidine
CID 84349
N,N-Dibutyl-3-methoxybenzenamine
CID 4068285

Frequently Asked Questions

What is the IUPAC name of [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine (CID 62327372) is [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine is CCC(C)Oc1cccc(N2CCC(CN)C2)c1.
What is the InChIKey of [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is NFBIUYIOPDINKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12(2)18-15-6-4-5-14(9-15)17-8-7-13(10-16)11-17/h4-6,9,12-13H,3,7-8,10-11,16H2,1-2H3.
What are the key properties of [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine?
[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62327372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).