3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol

C12H19BrN2O — CID 106167096

IUPAC3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2O/c1-3-12(2,6-7-16)15-11-8-9(13)4-5-10(11)14/h4-5,8,15-16H,3,6-7,14H2,1-2H3
InChIKeyNWCRRJXCOVPIQI-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.99
Rot. Bonds5

About 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol

3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol (PubChem CID 106167096) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
PubChem CID106167096
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2O/c1-3-12(2,6-7-16)15-11-8-9(13)4-5-10(11)14/h4-5,8,15-16H,3,6-7,14H2,1-2H3
InChIKeyNWCRRJXCOVPIQI-UHFFFAOYSA-N
XLogP2.99
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.99
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

3-(4-bromo-2-nitroanilino)-3-methylpentan-1-ol
CID 103768359
3-(2-amino-4-fluoro-5-methylanilino)-3-methylpentan-1-ol
CID 114152904
3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol
CID 106166860
4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
CID 65342502
2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
CID 105057762
3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
3-(3-aminoanilino)-3-methylpentan-1-ol
CID 106167043
3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol
CID 106167028
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol
CID 103768781
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol?
The IUPAC name of 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol (CID 106167096) is 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol is CCC(C)(CCO)Nc1cc(Br)ccc1N.
What is the InChIKey of 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol?
The InChIKey is NWCRRJXCOVPIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-3-12(2,6-7-16)15-11-8-9(13)4-5-10(11)14/h4-5,8,15-16H,3,6-7,14H2,1-2H3.
What are the key properties of 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol?
3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol is sourced from PubChem (CID 106167096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).