2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine

C17H22ClN3O — CID 126769820

IUPAC2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESClc1ccc(C(CNCc2cc[nH]c2)N2CCOCC2)cc1
InChIInChI=1S/C17H22ClN3O/c18-16-3-1-15(2-4-16)17(21-7-9-22-10-8-21)13-20-12-14-5-6-19-11-14/h1-6,11,17,19-20H,7-10,12-13H2
InChIKeyASQJOASVVHLXEN-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine

2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 126769820) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID126769820
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESClc1ccc(C(CNCc2cc[nH]c2)N2CCOCC2)cc1
InChIInChI=1S/C17H22ClN3O/c18-16-3-1-15(2-4-16)17(21-7-9-22-10-8-21)13-20-12-14-5-6-19-11-14/h1-6,11,17,19-20H,7-10,12-13H2
InChIKeyASQJOASVVHLXEN-UHFFFAOYSA-N
XLogP2.83
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119110534
2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 119110535
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
4-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 119123498
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111087097
2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 119114926

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 126769820) is 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine is Clc1ccc(C(CNCc2cc[nH]c2)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is ASQJOASVVHLXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c18-16-3-1-15(2-4-16)17(21-7-9-22-10-8-21)13-20-12-14-5-6-19-11-14/h1-6,11,17,19-20H,7-10,12-13H2.
What are the key properties of 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 319.84 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 126769820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).