2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

C17H27N3O — CID 43220540

IUPAC2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESc1ccc(N2CCCC2)c(CNCCN2CCOCC2)c1
InChIInChI=1S/C17H27N3O/c1-2-6-17(20-8-3-4-9-20)16(5-1)15-18-7-10-19-11-13-21-14-12-19/h1-2,5-6,18H,3-4,7-15H2
InChIKeyWNPRUXFLTBPWLC-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.71
Rot. Bonds6

About 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 43220540) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID43220540
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESc1ccc(N2CCCC2)c(CNCCN2CCOCC2)c1
InChIInChI=1S/C17H27N3O/c1-2-6-17(20-8-3-4-9-20)16(5-1)15-18-7-10-19-11-13-21-14-12-19/h1-2,5-6,18H,3-4,7-15H2
InChIKeyWNPRUXFLTBPWLC-UHFFFAOYSA-N
XLogP1.71
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110928639
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 39433302
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
2-imidazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 60658003
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 43220540) is 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is c1ccc(N2CCCC2)c(CNCCN2CCOCC2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is WNPRUXFLTBPWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-6-17(20-8-3-4-9-20)16(5-1)15-18-7-10-19-11-13-21-14-12-19/h1-2,5-6,18H,3-4,7-15H2.
What are the key properties of 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 43220540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).