N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine

C14H21BrN2O — CID 82754495

IUPACN-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1cc(Br)ccc1CCN
InChIInChI=1S/C14H21BrN2O/c1-10-13(6-8-18-10)17(2)14-9-12(15)4-3-11(14)5-7-16/h3-4,9-10,13H,5-8,16H2,1-2H3
InChIKeyDNMAUCLGBUYWIX-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.56
Rot. Bonds4

About N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine

N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82754495) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine
PubChem CID82754495
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1cc(Br)ccc1CCN
InChIInChI=1S/C14H21BrN2O/c1-10-13(6-8-18-10)17(2)14-9-12(15)4-3-11(14)5-7-16/h3-4,9-10,13H,5-8,16H2,1-2H3
InChIKeyDNMAUCLGBUYWIX-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 114064884
N-[2-(aminomethyl)-5-methylphenyl]-N,2-dimethyloxolan-3-amine
CID 82733742
[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol
CID 114845807
1-[5-bromo-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82971312
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
CID 82968198
N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 63782253
5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
CID 113388563
2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline
CID 63787208
2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol
CID 102631472
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82742095
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
5-amino-2-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid
CID 82749270

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine (CID 82754495) is N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)c1cc(Br)ccc1CCN.
What is the InChIKey of N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is DNMAUCLGBUYWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10-13(6-8-18-10)17(2)14-9-12(15)4-3-11(14)5-7-16/h3-4,9-10,13H,5-8,16H2,1-2H3.
What are the key properties of N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine?
N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 313.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82754495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).