CID 89203711

C18H20BNO — CID 89203711

IUPAC—
SMILES[B][C@H](c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H20BNO/c19-18(16-9-5-2-6-10-16)17-14-20(11-12-21-17)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m0/s1
InChIKeyMNQJFVPMTLZIRU-ZWKOTPCHSA-N
MW277.18 g/mol
LogP2.80
Rot. Bonds4

About CID 89203711

CID 89203711 (PubChem CID 89203711) has the molecular formula C18H20BNO and a molecular weight of 277.18 g/mol.

Molecular Properties

Compound NameCID 89203711
PubChem CID89203711
Molecular FormulaC18H20BNO
Molecular Weight277.18 g/mol
Exact Mass277.16
IUPAC Name—
SMILES[B][C@H](c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H20BNO/c19-18(16-9-5-2-6-10-16)17-14-20(11-12-21-17)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m0/s1
InChIKeyMNQJFVPMTLZIRU-ZWKOTPCHSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine
CID 69434313
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
[(2R)-4-benzylmorpholin-2-yl]-(2-fluorophenyl)methanol
CID 69432470
(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine
CID 68597691
(2R)-4-benzyl-2-[1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethyl]morpholine
CID 70333735
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 CID 89203711?
The IUPAC name of CID 89203711 (CID 89203711) is not available.
What is the SMILES notation for CID 89203711?
The canonical SMILES for CID 89203711 is [B][C@H](c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of CID 89203711?
The InChIKey is MNQJFVPMTLZIRU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H20BNO/c19-18(16-9-5-2-6-10-16)17-14-20(11-12-21-17)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m0/s1.
What are the key properties of CID 89203711?
CID 89203711 has a molecular weight of 277.18 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89203711 is sourced from PubChem (CID 89203711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).