(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C15H21BrFNO — CID 107953815

IUPAC(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2cccc(Br)c2F)C(C)(C)O1
InChIInChI=1S/C15H21BrFNO/c1-14(2)8-10(15(3,4)19-14)13(18)9-6-5-7-11(16)12(9)17/h5-7,10,13H,8,18H2,1-4H3
InChIKeyCHODNAWMXNNZFU-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.18
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 107953815) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID107953815
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2cccc(Br)c2F)C(C)(C)O1
InChIInChI=1S/C15H21BrFNO/c1-14(2)8-10(15(3,4)19-14)13(18)9-6-5-7-11(16)12(9)17/h5-7,10,13H,8,18H2,1-4H3
InChIKeyCHODNAWMXNNZFU-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018
[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105208749
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114885572
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
N-[(2-bromo-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053129
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
CID 106645707
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 107953815) is (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)c2cccc(Br)c2F)C(C)(C)O1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is CHODNAWMXNNZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-14(2)8-10(15(3,4)19-14)13(18)9-6-5-7-11(16)12(9)17/h5-7,10,13H,8,18H2,1-4H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 330.24 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 107953815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).