4-bromo-2-(1-methoxypropan-2-yloxy)aniline

C10H14BrNO2 — CID 65342707

IUPAC4-bromo-2-(1-methoxypropan-2-yloxy)aniline
SMILESCOCC(C)Oc1cc(Br)ccc1N
InChIInChI=1S/C10H14BrNO2/c1-7(6-13-2)14-10-5-8(11)3-4-9(10)12/h3-5,7H,6,12H2,1-2H3
InChIKeyHKOJCUZLGMSEKF-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.44
Rot. Bonds4

About 4-bromo-2-(1-methoxypropan-2-yloxy)aniline

4-bromo-2-(1-methoxypropan-2-yloxy)aniline (PubChem CID 65342707) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-bromo-2-(1-methoxypropan-2-yloxy)aniline.

Molecular Properties

Compound Name4-bromo-2-(1-methoxypropan-2-yloxy)aniline
PubChem CID65342707
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-bromo-2-(1-methoxypropan-2-yloxy)aniline
SMILESCOCC(C)Oc1cc(Br)ccc1N
InChIInChI=1S/C10H14BrNO2/c1-7(6-13-2)14-10-5-8(11)3-4-9(10)12/h3-5,7H,6,12H2,1-2H3
InChIKeyHKOJCUZLGMSEKF-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-propan-2-yloxyaniline
CID 50998232
4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline
CID 83008789
4-bromo-2-(methoxymethoxy)aniline
CID 167459517
4-bromo-2-(1,1,1-trifluoropropan-2-yloxy)aniline
CID 66274535
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
4-fluoro-5-iodo-2-(1-methoxypropan-2-yloxy)aniline
CID 66099971
(1R)-1-[3-bromo-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78956397
1-(2-amino-5-bromophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991017
3-[5-bromo-2-(1-methoxypropan-2-yloxy)phenyl]prop-2-enoic acid
CID 77020753
2-(1-amino-2-methoxyethyl)-5-bromoaniline
CID 130043001
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
2-(1-methoxypropan-2-yloxy)-3-methylaniline
CID 115550968

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-methoxypropan-2-yloxy)aniline?
The IUPAC name of 4-bromo-2-(1-methoxypropan-2-yloxy)aniline (CID 65342707) is 4-bromo-2-(1-methoxypropan-2-yloxy)aniline.
What is the SMILES notation for 4-bromo-2-(1-methoxypropan-2-yloxy)aniline?
The canonical SMILES for 4-bromo-2-(1-methoxypropan-2-yloxy)aniline is COCC(C)Oc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(1-methoxypropan-2-yloxy)aniline?
The InChIKey is HKOJCUZLGMSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7(6-13-2)14-10-5-8(11)3-4-9(10)12/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 4-bromo-2-(1-methoxypropan-2-yloxy)aniline?
4-bromo-2-(1-methoxypropan-2-yloxy)aniline has a molecular weight of 260.13 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-methoxypropan-2-yloxy)aniline is sourced from PubChem (CID 65342707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).