1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine

C17H27N3O — CID 63794882

IUPAC1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C17H27N3O/c1-14(18)12-15-2-4-16(5-3-15)20-7-6-17(13-20)19-8-10-21-11-9-19/h2-5,14,17H,6-13,18H2,1H3
InChIKeyJNNSJBNYISODRC-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.49
Rot. Bonds4

About 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine

1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine (PubChem CID 63794882) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
PubChem CID63794882
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C17H27N3O/c1-14(18)12-15-2-4-16(5-3-15)20-7-6-17(13-20)19-8-10-21-11-9-19/h2-5,14,17H,6-13,18H2,1H3
InChIKeyJNNSJBNYISODRC-UHFFFAOYSA-N
XLogP1.49
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[5-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 115939599
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786246
1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63817435
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794137
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816
N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 76986915
1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine
CID 63980117
4-(4-morpholin-4-ylphenyl)butan-2-amine
CID 23009589
(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78930853
(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369223
2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 63174659

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine (CID 63794882) is 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(N2CCC(N3CCOCC3)C2)cc1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine?
The InChIKey is JNNSJBNYISODRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(18)12-15-2-4-16(5-3-15)20-7-6-17(13-20)19-8-10-21-11-9-19/h2-5,14,17H,6-13,18H2,1H3.
What are the key properties of 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine?
1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63794882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).