(1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine

C15H23BFNO3 — CID 168920234

IUPAC(1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
SMILESCC1(C)OB([C@@H](N)CCOc2ccc(F)cc2)OC1(C)C
InChIInChI=1S/C15H23BFNO3/c1-14(2)15(3,4)21-16(20-14)13(18)9-10-19-12-7-5-11(17)6-8-12/h5-8,13H,9-10,18H2,1-4H3/t13-/m0/s1
InChIKeyFJXYMPLBZIKYQM-ZDUSSCGKSA-N
MW295.16 g/mol
LogP2.55
Rot. Bonds5

About (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine

(1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine (PubChem CID 168920234) has the molecular formula C15H23BFNO3 and a molecular weight of 295.16 g/mol. Its IUPAC name is (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
PubChem CID168920234
Molecular FormulaC15H23BFNO3
Molecular Weight295.16 g/mol
Exact Mass295.18
IUPAC Name(1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
SMILESCC1(C)OB([C@@H](N)CCOc2ccc(F)cc2)OC1(C)C
InChIInChI=1S/C15H23BFNO3/c1-14(2)15(3,4)21-16(20-14)13(18)9-10-19-12-7-5-11(17)6-8-12/h5-8,13H,9-10,18H2,1-4H3/t13-/m0/s1
InChIKeyFJXYMPLBZIKYQM-ZDUSSCGKSA-N
XLogP2.55
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 174051436
(1R)-4-(4-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride
CID 168920113
(1R)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
CID 142595987
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
(R)-[4-(difluoromethoxy)phenyl]-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191068
2-[4-[2-(2,5-difluorophenoxy)ethoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249696
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
2-[2-(4-fluorophenoxy)ethylsulfanyl]propan-1-amine
CID 66242289
(2R)-2-amino-3-methoxy-N-[(1R)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]propanamide;hydrochloride
CID 168920099
2-amino-N-[(1R)-3-(4-chloro-3-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 174052182
(3R)-5-(4-chloro-3-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide;hydrochloride
CID 177297169
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine?
The IUPAC name of (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine (CID 168920234) is (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine.
What is the SMILES notation for (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine?
The canonical SMILES for (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine is CC1(C)OB([C@@H](N)CCOc2ccc(F)cc2)OC1(C)C.
What is the InChIKey of (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine?
The InChIKey is FJXYMPLBZIKYQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23BFNO3/c1-14(2)15(3,4)21-16(20-14)13(18)9-10-19-12-7-5-11(17)6-8-12/h5-8,13H,9-10,18H2,1-4H3/t13-/m0/s1.
What are the key properties of (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine?
(1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine has a molecular weight of 295.16 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine is sourced from PubChem (CID 168920234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).