1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol

C21H20BrNO2 — CID 139082928

IUPAC1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@@H](c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C21H20BrNO2/c22-17-8-5-16(6-9-17)21(23-11-13-25-14-12-23)20-18-4-2-1-3-15(18)7-10-19(20)24/h1-10,21,24H,11-14H2/t21-/m1/s1
InChIKeyDQMLLAMJTBDWSB-OAQYLSRUSA-N
MW398.30 g/mol
LogP4.73
Rot. Bonds3

About 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol

1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol (PubChem CID 139082928) has the molecular formula C21H20BrNO2 and a molecular weight of 398.30 g/mol. Its IUPAC name is 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
PubChem CID139082928
Molecular FormulaC21H20BrNO2
Molecular Weight398.30 g/mol
Exact Mass397.07
IUPAC Name1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@@H](c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C21H20BrNO2/c22-17-8-5-16(6-9-17)21(23-11-13-25-14-12-23)20-18-4-2-1-3-15(18)7-10-19(20)24/h1-10,21,24H,11-14H2/t21-/m1/s1
InChIKeyDQMLLAMJTBDWSB-OAQYLSRUSA-N
XLogP4.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 18775206
6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 135025274
1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol
CID 39345448
1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
CID 45378573
4-[(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethyl]benzonitrile
CID 91273590
1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
CID 135025792
1-[(4-bromophenyl)-(pyrimidin-2-ylamino)methyl]naphthalen-2-ol
CID 25128840
7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one
CID 11450983
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 46270044
2-[(4-fluorophenyl)-morpholin-4-ylmethyl]phenol
CID 102355502

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol (CID 139082928) is 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1[C@@H](c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The InChIKey is DQMLLAMJTBDWSB-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20BrNO2/c22-17-8-5-16(6-9-17)21(23-11-13-25-14-12-23)20-18-4-2-1-3-15(18)7-10-19(20)24/h1-10,21,24H,11-14H2/t21-/m1/s1.
What are the key properties of 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol has a molecular weight of 398.30 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 139082928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).