(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine

C19H27N3O — CID 7318399

IUPAC(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1cccn1CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H27N3O/c1-17(18-6-3-2-4-7-18)20-16-19-8-5-9-22(19)11-10-21-12-14-23-15-13-21/h2-9,17,20H,10-16H2,1H3/t17-/m1/s1
InChIKeyYVEKMLDJMIOZMW-QGZVFWFLSA-N
MW313.44 g/mol
LogP2.67
Rot. Bonds7

About (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine

(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine (PubChem CID 7318399) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine
PubChem CID7318399
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1cccn1CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H27N3O/c1-17(18-6-3-2-4-7-18)20-16-19-8-5-9-22(19)11-10-21-12-14-23-15-13-21/h2-9,17,20H,10-16H2,1H3/t17-/m1/s1
InChIKeyYVEKMLDJMIOZMW-QGZVFWFLSA-N
XLogP2.67
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
N-methyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanamine
CID 66401352
1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 3537939
N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401991
2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
CID 83823084
(1S)-N-[(5-morpholin-4-ylfuran-2-yl)methyl]-1-phenylethanamine
CID 102174400
N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine
CID 4537540
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 66411298
(1S)-1-(3-bromophenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81382188
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine (CID 7318399) is (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine is C[C@@H](NCc1cccn1CCN1CCOCC1)c1ccccc1.
What is the InChIKey of (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine?
The InChIKey is YVEKMLDJMIOZMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O/c1-17(18-6-3-2-4-7-18)20-16-19-8-5-9-22(19)11-10-21-12-14-23-15-13-21/h2-9,17,20H,10-16H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine?
(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine has a molecular weight of 313.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 7318399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).