1-bromo-2-(ethylamino)ethanol

C4H10BrNO — CID 151846776

IUPAC1-bromo-2-(ethylamino)ethanol
SMILESCCNCC(O)Br
InChIInChI=1S/C4H10BrNO/c1-2-6-3-4(5)7/h4,6-7H,2-3H2,1H3
InChIKeySHUYYFICELZISZ-UHFFFAOYSA-N
MW168.03 g/mol
LogP0.31
Rot. Bonds3

About 1-bromo-2-(ethylamino)ethanol

1-bromo-2-(ethylamino)ethanol (PubChem CID 151846776) has the molecular formula C4H10BrNO and a molecular weight of 168.03 g/mol. Its IUPAC name is 1-bromo-2-(ethylamino)ethanol.

Molecular Properties

Compound Name1-bromo-2-(ethylamino)ethanol
PubChem CID151846776
Molecular FormulaC4H10BrNO
Molecular Weight168.03 g/mol
Exact Mass166.99
IUPAC Name1-bromo-2-(ethylamino)ethanol
SMILESCCNCC(O)Br
InChIInChI=1S/C4H10BrNO/c1-2-6-3-4(5)7/h4,6-7H,2-3H2,1H3
InChIKeySHUYYFICELZISZ-UHFFFAOYSA-N
XLogP0.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.03
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(ethylamino)ethanol
CID 130275854
1-(ethylamino)-3-fluoropropan-2-ol
CID 59154890
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
1-amino-3-(ethylamino)propan-2-ol
CID 20604769
2-(ethylamino)-1-methoxyethanol
CID 173318467
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
1-(ethylamino)hexan-2-ol
CID 54078804
2-(ethylaminomethyl)butane-1,3-diol
CID 139939202
1-(4-amino-3-bromophenyl)-2-(ethylamino)ethanol
CID 154088498
3-(diethylamino)-4-(ethylamino)butan-2-ol
CID 121467548
1-(ethylamino)octan-2-ol
CID 62774096
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(ethylamino)ethanol?
The IUPAC name of 1-bromo-2-(ethylamino)ethanol (CID 151846776) is 1-bromo-2-(ethylamino)ethanol.
What is the SMILES notation for 1-bromo-2-(ethylamino)ethanol?
The canonical SMILES for 1-bromo-2-(ethylamino)ethanol is CCNCC(O)Br.
What is the InChIKey of 1-bromo-2-(ethylamino)ethanol?
The InChIKey is SHUYYFICELZISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrNO/c1-2-6-3-4(5)7/h4,6-7H,2-3H2,1H3.
What are the key properties of 1-bromo-2-(ethylamino)ethanol?
1-bromo-2-(ethylamino)ethanol has a molecular weight of 168.03 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(ethylamino)ethanol is sourced from PubChem (CID 151846776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).