2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine

C16H21ClN4O — CID 119109898

IUPAC2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESClc1ccccc1C(CNCc1ccn[nH]1)N1CCOCC1
InChIInChI=1S/C16H21ClN4O/c17-15-4-2-1-3-14(15)16(21-7-9-22-10-8-21)12-18-11-13-5-6-19-20-13/h1-6,16,18H,7-12H2,(H,19,20)
InChIKeyLHROEZALFAMELI-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.23
Rot. Bonds6

About 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine

2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 119109898) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID119109898
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESClc1ccccc1C(CNCc1ccn[nH]1)N1CCOCC1
InChIInChI=1S/C16H21ClN4O/c17-15-4-2-1-3-14(15)16(21-7-9-22-10-8-21)12-18-11-13-5-6-19-20-13/h1-6,16,18H,7-12H2,(H,19,20)
InChIKeyLHROEZALFAMELI-UHFFFAOYSA-N
XLogP2.23
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119110534
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropan-1-amine
CID 83380866
4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
CID 122030156
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 78903826
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 37051019
(2S)-2-(2-chlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 124699195
2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
CID 34536248
2-(2-chlorophenyl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110633437
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 119109898) is 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine is Clc1ccccc1C(CNCc1ccn[nH]1)N1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is LHROEZALFAMELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c17-15-4-2-1-3-14(15)16(21-7-9-22-10-8-21)12-18-11-13-5-6-19-20-13/h1-6,16,18H,7-12H2,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 320.82 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 119109898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).