2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline

C12H16BrNO — CID 63181267

IUPAC2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESBrc1ccccc1NCCC1CCCO1
InChIInChI=1S/C12H16BrNO/c13-11-5-1-2-6-12(11)14-8-7-10-4-3-9-15-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyIOYUONGYIMUMCB-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.43
Rot. Bonds4

About 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline

2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline (PubChem CID 63181267) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
PubChem CID63181267
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESBrc1ccccc1NCCC1CCCO1
InChIInChI=1S/C12H16BrNO/c13-11-5-1-2-6-12(11)14-8-7-10-4-3-9-15-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyIOYUONGYIMUMCB-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975818
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
2-methyl-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 63062740
2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163343
2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline
CID 164638358
2-bromo-4-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990617
1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60896835
4-bromo-N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethoxy)aniline
CID 103193120
2,4-dibromo-N-(oxolan-2-ylmethyl)aniline
CID 60680681
1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983659
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267
2,3-dimethyl-N-[3-(oxolan-2-yl)propyl]aniline
CID 65163393

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline (CID 63181267) is 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline is Brc1ccccc1NCCC1CCCO1.
What is the InChIKey of 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline?
The InChIKey is IOYUONGYIMUMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-5-1-2-6-12(11)14-8-7-10-4-3-9-15-10/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline?
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline has a molecular weight of 270.17 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline is sourced from PubChem (CID 63181267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).