1-amino-3-(3-bromoanilino)propan-2-ol

C9H13BrN2O — CID 15564361

IUPAC1-amino-3-(3-bromoanilino)propan-2-ol
SMILESNCC(O)CNc1cccc(Br)c1
InChIInChI=1S/C9H13BrN2O/c10-7-2-1-3-8(4-7)12-6-9(13)5-11/h1-4,9,12-13H,5-6,11H2
InChIKeyWNNKFJKIDCZMET-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.18
Rot. Bonds4

About 1-amino-3-(3-bromoanilino)propan-2-ol

1-amino-3-(3-bromoanilino)propan-2-ol (PubChem CID 15564361) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-amino-3-(3-bromoanilino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-bromoanilino)propan-2-ol
PubChem CID15564361
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-amino-3-(3-bromoanilino)propan-2-ol
SMILESNCC(O)CNc1cccc(Br)c1
InChIInChI=1S/C9H13BrN2O/c10-7-2-1-3-8(4-7)12-6-9(13)5-11/h1-4,9,12-13H,5-6,11H2
InChIKeyWNNKFJKIDCZMET-UHFFFAOYSA-N
XLogP1.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 93345591
1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60898520
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
2-(3-bromoanilino)-1-phenylethanol
CID 60719910
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898174
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
methyl 3-(3-bromoanilino)-2-methylpropanoate
CID 43538528
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-bromoanilino)propan-2-ol?
The IUPAC name of 1-amino-3-(3-bromoanilino)propan-2-ol (CID 15564361) is 1-amino-3-(3-bromoanilino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-bromoanilino)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-bromoanilino)propan-2-ol is NCC(O)CNc1cccc(Br)c1.
What is the InChIKey of 1-amino-3-(3-bromoanilino)propan-2-ol?
The InChIKey is WNNKFJKIDCZMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-7-2-1-3-8(4-7)12-6-9(13)5-11/h1-4,9,12-13H,5-6,11H2.
What are the key properties of 1-amino-3-(3-bromoanilino)propan-2-ol?
1-amino-3-(3-bromoanilino)propan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-bromoanilino)propan-2-ol is sourced from PubChem (CID 15564361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).