(2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine

C18H19BrClNO — CID 69434313

IUPAC(2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine
SMILESClc1ccc(C(Br)[C@H]2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C18H19BrClNO/c19-18(15-6-8-16(20)9-7-15)17-13-21(10-11-22-17)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2/t17-,18?/m1/s1
InChIKeySMSGGFKEXIXGET-QNSVNVJESA-N
MW380.71 g/mol
LogP4.68
Rot. Bonds4

About (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine

(2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine (PubChem CID 69434313) has the molecular formula C18H19BrClNO and a molecular weight of 380.71 g/mol. Its IUPAC name is (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine
PubChem CID69434313
Molecular FormulaC18H19BrClNO
Molecular Weight380.71 g/mol
Exact Mass379.03
IUPAC Name(2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine
SMILESClc1ccc(C(Br)[C@H]2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C18H19BrClNO/c19-18(15-6-8-16(20)9-7-15)17-13-21(10-11-22-17)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2/t17-,18?/m1/s1
InChIKeySMSGGFKEXIXGET-QNSVNVJESA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.71
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 89203711
CID 89203711
(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine
CID 68597691
[(2R)-4-benzylmorpholin-2-yl]-(2-fluorophenyl)methanol
CID 69432470
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
4-benzyl-2-(tetrazolidin-5-yl)morpholine
CID 138059153
(S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol
CID 143010852
(1R)-1-[(2R)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
CID 97229017
(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-N-(2-pyridin-2-ylethyl)ethanamine
CID 97229015

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine?
The IUPAC name of (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine (CID 69434313) is (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine.
What is the SMILES notation for (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine?
The canonical SMILES for (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine is Clc1ccc(C(Br)[C@H]2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine?
The InChIKey is SMSGGFKEXIXGET-QNSVNVJESA-N. The full InChI is InChI=1S/C18H19BrClNO/c19-18(15-6-8-16(20)9-7-15)17-13-21(10-11-22-17)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2/t17-,18?/m1/s1.
What are the key properties of (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine?
(2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine has a molecular weight of 380.71 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine is sourced from PubChem (CID 69434313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).