2-(2-amino-5-bromoanilino)-1-cyclopropylethanol

C11H15BrN2O — CID 65342466

IUPAC2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
SMILESNc1ccc(Br)cc1NCC(O)C1CC1
InChIInChI=1S/C11H15BrN2O/c12-8-3-4-9(13)10(5-8)14-6-11(15)7-1-2-7/h3-5,7,11,14-15H,1-2,6,13H2
InChIKeyNIGNDCOKVNKDSO-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol

2-(2-amino-5-bromoanilino)-1-cyclopropylethanol (PubChem CID 65342466) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
PubChem CID65342466
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
SMILESNc1ccc(Br)cc1NCC(O)C1CC1
InChIInChI=1S/C11H15BrN2O/c12-8-3-4-9(13)10(5-8)14-6-11(15)7-1-2-7/h3-5,7,11,14-15H,1-2,6,13H2
InChIKeyNIGNDCOKVNKDSO-UHFFFAOYSA-N
XLogP2.21
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol
CID 107286259
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417
methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate
CID 129386301
3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
CID 106119622
2-(3-amino-4-methylanilino)-1-cyclopropylethanol
CID 63295237
2-(2-amino-3-fluoroanilino)-1-cyclopropylethanol
CID 63295068
4-bromo-2-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 65342141
4-bromo-2-N-[cyclopropyl(phenyl)methyl]benzene-1,2-diamine
CID 135227866
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
CID 55232564

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol?
The IUPAC name of 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol (CID 65342466) is 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol.
What is the SMILES notation for 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol?
The canonical SMILES for 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol is Nc1ccc(Br)cc1NCC(O)C1CC1.
What is the InChIKey of 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol?
The InChIKey is NIGNDCOKVNKDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-8-3-4-9(13)10(5-8)14-6-11(15)7-1-2-7/h3-5,7,11,14-15H,1-2,6,13H2.
What are the key properties of 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol?
2-(2-amino-5-bromoanilino)-1-cyclopropylethanol has a molecular weight of 271.16 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromoanilino)-1-cyclopropylethanol is sourced from PubChem (CID 65342466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).