N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine

C12H17BrN2O — CID 82835319

IUPACN-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)C1CCCO1
InChIInChI=1S/C12H17BrN2O/c13-9-4-1-2-5-10(9)15-11(8-14)12-6-3-7-16-12/h1-2,4-5,11-12,15H,3,6-8,14H2
InChIKeyYXMRPJPPQAUVOE-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.37
Rot. Bonds4

About N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine

N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835319) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID82835319
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC NameN-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)C1CCCO1
InChIInChI=1S/C12H17BrN2O/c13-9-4-1-2-5-10(9)15-11(8-14)12-6-3-7-16-12/h1-2,4-5,11-12,15H,3,6-8,14H2
InChIKeyYXMRPJPPQAUVOE-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 116783724
N-(3-bromo-4-fluorophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 104776377
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 82835407
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
2-bromo-N-(dicyclopropylmethyl)aniline
CID 43362785
N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
CID 125485962
[2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
CID 105228977
[1-(oxolan-2-yl)-2-quinolin-2-ylethyl]hydrazine
CID 105228979
2-(2-fluoroanilino)-2-(oxolan-2-yl)acetamide
CID 82836977

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine (CID 82835319) is N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine is NCC(Nc1ccccc1Br)C1CCCO1.
What is the InChIKey of N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is YXMRPJPPQAUVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-9-4-1-2-5-10(9)15-11(8-14)12-6-3-7-16-12/h1-2,4-5,11-12,15H,3,6-8,14H2.
What are the key properties of N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 285.18 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).