(2S)-1-(3-bromoanilino)butan-2-ol

C10H14BrNO — CID 93345591

IUPAC(2S)-1-(3-bromoanilino)butan-2-ol
SMILESCC[C@H](O)CNc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-2-10(13)7-12-9-5-3-4-8(11)6-9/h3-6,10,12-13H,2,7H2,1H3/t10-/m0/s1
InChIKeyJFFWQRJQTNGRNU-JTQLQIEISA-N
MW244.13 g/mol
LogP2.63
Rot. Bonds4

About (2S)-1-(3-bromoanilino)butan-2-ol

(2S)-1-(3-bromoanilino)butan-2-ol (PubChem CID 93345591) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (2S)-1-(3-bromoanilino)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-bromoanilino)butan-2-ol
PubChem CID93345591
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(2S)-1-(3-bromoanilino)butan-2-ol
SMILESCC[C@H](O)CNc1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c1-2-10(13)7-12-9-5-3-4-8(11)6-9/h3-6,10,12-13H,2,7H2,1H3/t10-/m0/s1
InChIKeyJFFWQRJQTNGRNU-JTQLQIEISA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60898520
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
1-(3-bromo-4-iodoanilino)butan-2-ol
CID 130499884
1-(3-bromo-5-chloroanilino)butan-2-ol
CID 131187308
2-(3-bromoanilino)-1-phenylethanol
CID 60719910
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
1-(3-bromoanilino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 60898344

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-bromoanilino)butan-2-ol?
The IUPAC name of (2S)-1-(3-bromoanilino)butan-2-ol (CID 93345591) is (2S)-1-(3-bromoanilino)butan-2-ol.
What is the SMILES notation for (2S)-1-(3-bromoanilino)butan-2-ol?
The canonical SMILES for (2S)-1-(3-bromoanilino)butan-2-ol is CC[C@H](O)CNc1cccc(Br)c1.
What is the InChIKey of (2S)-1-(3-bromoanilino)butan-2-ol?
The InChIKey is JFFWQRJQTNGRNU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-10(13)7-12-9-5-3-4-8(11)6-9/h3-6,10,12-13H,2,7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-(3-bromoanilino)butan-2-ol?
(2S)-1-(3-bromoanilino)butan-2-ol has a molecular weight of 244.13 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-bromoanilino)butan-2-ol is sourced from PubChem (CID 93345591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).