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

C11H14BrNO — CID 115884928

IUPACN-(3-bromo-2-methylphenyl)oxolan-3-amine
SMILESCc1c(Br)cccc1NC1CCOC1
InChIInChI=1S/C11H14BrNO/c1-8-10(12)3-2-4-11(8)13-9-5-6-14-7-9/h2-4,9,13H,5-7H2,1H3
InChIKeyQYPJLOHDTIUSED-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.96
Rot. Bonds2

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

N-(3-bromo-2-methylphenyl)oxolan-3-amine (PubChem CID 115884928) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)oxolan-3-amine
PubChem CID115884928
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(3-bromo-2-methylphenyl)oxolan-3-amine
SMILESCc1c(Br)cccc1NC1CCOC1
InChIInChI=1S/C11H14BrNO/c1-8-10(12)3-2-4-11(8)13-9-5-6-14-7-9/h2-4,9,13H,5-7H2,1H3
InChIKeyQYPJLOHDTIUSED-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-bromo-5-methylphenyl)oxolan-3-amine
CID 82761747
N-(3-bromo-2-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 104791123
3-bromo-2-methyl-N-(3-methylcyclopentyl)aniline
CID 107629941
N-(2-bromophenyl)oxan-4-amine;hydrochloride
CID 146049754
N-(2,3-dichlorophenyl)oxolan-3-amine
CID 63331897
N-(2,5-dibromophenyl)oxolan-3-amine
CID 63335357
N-(2-fluorophenyl)oxolan-3-amine
CID 63332099
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
N-(2-bromo-4-fluorophenyl)oxolan-3-amine
CID 63331950
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205
N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine
CID 134412785
1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393400

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)oxolan-3-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)oxolan-3-amine (CID 115884928) is N-(3-bromo-2-methylphenyl)oxolan-3-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)oxolan-3-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)oxolan-3-amine is Cc1c(Br)cccc1NC1CCOC1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)oxolan-3-amine?
The InChIKey is QYPJLOHDTIUSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-10(12)3-2-4-11(8)13-9-5-6-14-7-9/h2-4,9,13H,5-7H2,1H3.
What are the key properties of N-(3-bromo-2-methylphenyl)oxolan-3-amine?
N-(3-bromo-2-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-(3-bromo-2-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 115884928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).