2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine

C16H24ClN3O — CID 63171639

IUPAC2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1cccc(Cl)c1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H24ClN3O/c17-14-3-1-2-13(10-14)16(11-18)20-5-4-15(12-20)19-6-8-21-9-7-19/h1-3,10,15-16H,4-9,11-12,18H2
InChIKeyNQSLDCFXIUYUDW-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.75
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine

2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine (PubChem CID 63171639) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
PubChem CID63171639
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1cccc(Cl)c1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H24ClN3O/c17-14-3-1-2-13(10-14)16(11-18)20-5-4-15(12-20)19-6-8-21-9-7-19/h1-3,10,15-16H,4-9,11-12,18H2
InChIKeyNQSLDCFXIUYUDW-UHFFFAOYSA-N
XLogP1.75
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 63172030
3-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 63171689
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 114081770
2-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562487
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
2-(3-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 61429561
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 115380442
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine (CID 63171639) is 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine is NCC(c1cccc(Cl)c1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is NQSLDCFXIUYUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c17-14-3-1-2-13(10-14)16(11-18)20-5-4-15(12-20)19-6-8-21-9-7-19/h1-3,10,15-16H,4-9,11-12,18H2.
What are the key properties of 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 309.84 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63171639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).