1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol

C14H20BrNO3 — CID 60896835

IUPAC1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1ccccc1Br)COCC1CCCO1
InChIInChI=1S/C14H20BrNO3/c15-13-5-1-2-6-14(13)16-8-11(17)9-18-10-12-4-3-7-19-12/h1-2,5-6,11-12,16-17H,3-4,7-10H2
InChIKeyXLUXYHNQOLCHKZ-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.42
Rot. Bonds7

About 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol

1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 60896835) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID60896835
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1ccccc1Br)COCC1CCCO1
InChIInChI=1S/C14H20BrNO3/c15-13-5-1-2-6-14(13)16-8-11(17)9-18-10-12-4-3-7-19-12/h1-2,5-6,11-12,16-17H,3-4,7-10H2
InChIKeyXLUXYHNQOLCHKZ-UHFFFAOYSA-N
XLogP2.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-chloro-4-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 104723529
1-(3-bromo-4-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 63334174
1-(4-bromo-2-ethylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81288502
1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60900045
1-(2,6-difluoro-3-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 82801882
1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60633304
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
1-[1-(3-bromophenyl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60746205
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 60896835) is 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol is OC(CNc1ccccc1Br)COCC1CCCO1.
What is the InChIKey of 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is XLUXYHNQOLCHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c15-13-5-1-2-6-14(13)16-8-11(17)9-18-10-12-4-3-7-19-12/h1-2,5-6,11-12,16-17H,3-4,7-10H2.
What are the key properties of 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 330.22 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60896835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).