1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol

C15H24BrNO3 — CID 60746287

IUPAC1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNC(C)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3/c1-3-19-7-8-20-11-15(18)10-17-12(2)13-5-4-6-14(16)9-13/h4-6,9,12,15,17-18H,3,7-8,10-11H2,1-2H3
InChIKeyORYAURAIHXVCHC-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.51
Rot. Bonds10

About 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol

1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 60746287) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID60746287
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNC(C)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO3/c1-3-19-7-8-20-11-15(18)10-17-12(2)13-5-4-6-14(16)9-13/h4-6,9,12,15,17-18H,3,7-8,10-11H2,1-2H3
InChIKeyORYAURAIHXVCHC-UHFFFAOYSA-N
XLogP2.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.51
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-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81381416
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
1-[1-(3-bromophenyl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60746205
N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
1-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81382477

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol (CID 60746287) is 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNC(C)c1cccc(Br)c1.
What is the InChIKey of 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is ORYAURAIHXVCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-3-19-7-8-20-11-15(18)10-17-12(2)13-5-4-6-14(16)9-13/h4-6,9,12,15,17-18H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 346.27 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 60746287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).