3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol

C12H17BrN2O — CID 106119622

IUPAC3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
SMILESNc1ccc(Br)cc1NCC1CCC(O)C1
InChIInChI=1S/C12H17BrN2O/c13-9-2-4-11(14)12(6-9)15-7-8-1-3-10(16)5-8/h2,4,6,8,10,15-16H,1,3,5,7,14H2
InChIKeyDOVGOBUBXYKSGN-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.60
Rot. Bonds3

About 3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol

3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol (PubChem CID 106119622) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
PubChem CID106119622
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
SMILESNc1ccc(Br)cc1NCC1CCC(O)C1
InChIInChI=1S/C12H17BrN2O/c13-9-2-4-11(14)12(6-9)15-7-8-1-3-10(16)5-8/h2,4,6,8,10,15-16H,1,3,5,7,14H2
InChIKeyDOVGOBUBXYKSGN-UHFFFAOYSA-N
XLogP2.60
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.60
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-amino-2-bromo-5-methylanilino)methyl]cyclopentan-1-ol
CID 114146031
4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120121
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
4-amino-3-[(4-hydroxycyclohexyl)methylamino]benzonitrile
CID 106120182
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119313
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119401
2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
CID 65342466
4-bromo-2-N-[(2-ethyloxolan-3-yl)methyl]benzene-1,2-diamine
CID 114104779
3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 106119555
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol (CID 106119622) is 3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol is Nc1ccc(Br)cc1NCC1CCC(O)C1.
What is the InChIKey of 3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol?
The InChIKey is DOVGOBUBXYKSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-9-2-4-11(14)12(6-9)15-7-8-1-3-10(16)5-8/h2,4,6,8,10,15-16H,1,3,5,7,14H2.
What are the key properties of 3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol?
3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol has a molecular weight of 285.19 g/mol, XLogP of 2.60, 3 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)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106119622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).