N-(2-bromo-5-methylphenyl)oxolan-3-amine

C11H14BrNO — CID 82761747

IUPACN-(2-bromo-5-methylphenyl)oxolan-3-amine
SMILESCc1ccc(Br)c(NC2CCOC2)c1
InChIInChI=1S/C11H14BrNO/c1-8-2-3-10(12)11(6-8)13-9-4-5-14-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyLMOHVDRIVLPZTM-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.96
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)oxolan-3-amine

N-(2-bromo-5-methylphenyl)oxolan-3-amine (PubChem CID 82761747) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)oxolan-3-amine
PubChem CID82761747
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(2-bromo-5-methylphenyl)oxolan-3-amine
SMILESCc1ccc(Br)c(NC2CCOC2)c1
InChIInChI=1S/C11H14BrNO/c1-8-2-3-10(12)11(6-8)13-9-4-5-14-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyLMOHVDRIVLPZTM-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dibromophenyl)oxolan-3-amine
CID 63335357
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205
N-(2-methoxy-5-methylphenyl)oxolan-3-amine
CID 63331725
N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine
CID 114042727
N-(3-bromo-2-methylphenyl)oxolan-3-amine
CID 115884928
N-(2-bromo-4-fluorophenyl)oxolan-3-amine
CID 63331950
(2S,3S)-N-(2-bromo-5-methylphenyl)-2-methyloxolan-3-amine
CID 97358686
N-(2-bromo-5-methylphenyl)thiolan-3-amine
CID 75525411
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313
N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 82761403
4-methyl-2-(oxan-4-ylamino)benzonitrile
CID 62309333

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)oxolan-3-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)oxolan-3-amine (CID 82761747) is N-(2-bromo-5-methylphenyl)oxolan-3-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)oxolan-3-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)oxolan-3-amine is Cc1ccc(Br)c(NC2CCOC2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)oxolan-3-amine?
The InChIKey is LMOHVDRIVLPZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-2-3-10(12)11(6-8)13-9-4-5-14-7-9/h2-3,6,9,13H,4-5,7H2,1H3.
What are the key properties of N-(2-bromo-5-methylphenyl)oxolan-3-amine?
N-(2-bromo-5-methylphenyl)oxolan-3-amine has a molecular weight of 256.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 82761747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).