[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone

C18H19ClN2O2 — CID 124700398

IUPAC[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
SMILESNCc1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1
InChIInChI=1S/C18H19ClN2O2/c19-16-4-2-1-3-15(16)17-12-21(9-10-23-17)18(22)14-7-5-13(11-20)6-8-14/h1-8,17H,9-12,20H2/t17-/m0/s1
InChIKeyTZRVMULPHQWQBC-KRWDZBQOSA-N
MW330.82 g/mol
LogP3.01
Rot. Bonds3

About [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone

[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone (PubChem CID 124700398) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
PubChem CID124700398
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
SMILESNCc1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1
InChIInChI=1S/C18H19ClN2O2/c19-16-4-2-1-3-15(16)17-12-21(9-10-23-17)18(22)14-7-5-13(11-20)6-8-14/h1-8,17H,9-12,20H2/t17-/m0/s1
InChIKeyTZRVMULPHQWQBC-KRWDZBQOSA-N
XLogP3.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119308311
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119774901
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
2-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591715
1-[2-(2-chlorophenyl)morpholin-4-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110356589
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
CID 95296582
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone (CID 124700398) is [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone is NCc1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone?
The InChIKey is TZRVMULPHQWQBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-4-2-1-3-15(16)17-12-21(9-10-23-17)18(22)14-7-5-13(11-20)6-8-14/h1-8,17H,9-12,20H2/t17-/m0/s1.
What are the key properties of [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone?
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone has a molecular weight of 330.82 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 124700398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).