1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol

C12H17BrN2O — CID 65102596

IUPAC1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol
SMILESNc1ccc(NCC2(O)CCCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-10-7-9(14)3-4-11(10)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8,14H2
InChIKeyLPCCGTUTVQHAJV-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.75
Rot. Bonds3

About 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol

1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol (PubChem CID 65102596) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol
PubChem CID65102596
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol
SMILESNc1ccc(NCC2(O)CCCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-10-7-9(14)3-4-11(10)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8,14H2
InChIKeyLPCCGTUTVQHAJV-UHFFFAOYSA-N
XLogP2.75
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol (CID 65102596) is 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol is Nc1ccc(NCC2(O)CCCC2)c(Br)c1.
What is the InChIKey of 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol?
The InChIKey is LPCCGTUTVQHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-10-7-9(14)3-4-11(10)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8,14H2.
What are the key properties of 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol?
1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65102596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).