1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol

C14H22BrNO3 — CID 107583006

IUPAC1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNc1cc(C)cc(Br)c1
InChIInChI=1S/C14H22BrNO3/c1-3-18-4-5-19-10-14(17)9-16-13-7-11(2)6-12(15)8-13/h6-8,14,16-17H,3-5,9-10H2,1-2H3
InChIKeyAERZCSMEJWFACV-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.58
Rot. Bonds9

About 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol

1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 107583006) has the molecular formula C14H22BrNO3 and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID107583006
Molecular FormulaC14H22BrNO3
Molecular Weight332.24 g/mol
Exact Mass331.08
IUPAC Name1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNc1cc(C)cc(Br)c1
InChIInChI=1S/C14H22BrNO3/c1-3-18-4-5-19-10-14(17)9-16-13-7-11(2)6-12(15)8-13/h6-8,14,16-17H,3-5,9-10H2,1-2H3
InChIKeyAERZCSMEJWFACV-UHFFFAOYSA-N
XLogP2.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639
1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107583341
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61467302
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
3-bromo-N-(3-methoxy-2-methylpropyl)-5-methylaniline
CID 102673341
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136
1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 60897868
1-(4-bromo-2,6-dimethylanilino)-3-butoxypropan-2-ol
CID 107262525
1-(2-ethoxyethoxy)-3-(2-methoxy-5-methylanilino)propan-2-ol
CID 60897925
1-(3-fluoro-5-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 79055009

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol (CID 107583006) is 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNc1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is AERZCSMEJWFACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3/c1-3-18-4-5-19-10-14(17)9-16-13-7-11(2)6-12(15)8-13/h6-8,14,16-17H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol?
1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 332.24 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 107583006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).