5-(3-bromoanilino)pentan-1-ol

C11H16BrNO — CID 62227140

IUPAC5-(3-bromoanilino)pentan-1-ol
SMILESOCCCCCNc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8H2
InChIKeyBXVWCQNRWVVEBH-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.02
Rot. Bonds6

About 5-(3-bromoanilino)pentan-1-ol

5-(3-bromoanilino)pentan-1-ol (PubChem CID 62227140) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-(3-bromoanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(3-bromoanilino)pentan-1-ol
PubChem CID62227140
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name5-(3-bromoanilino)pentan-1-ol
SMILESOCCCCCNc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8H2
InChIKeyBXVWCQNRWVVEBH-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-bromoanilino)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-octylaniline
CID 43129310
5-(3-iodoanilino)pentan-1-ol
CID 62228446
3-(5-hydroxypentylamino)benzoic acid
CID 107319684
5-(4-bromoanilino)pentan-1-ol
CID 62227139
10-anilinodecan-1-ol
CID 10955954
3-bromo-N-(4,4,4-trifluorobutyl)aniline
CID 115513477
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
6-(3-phenoxyanilino)hexan-1-ol
CID 103867980
3-bromo-N-(3-methylsulfonylpropyl)aniline
CID 63190564
5-[(3-bromophenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211575
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
6-(3-bromo-5-methoxyanilino)hexan-1-ol
CID 113343359

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)pentan-1-ol?
The IUPAC name of 5-(3-bromoanilino)pentan-1-ol (CID 62227140) is 5-(3-bromoanilino)pentan-1-ol.
What is the SMILES notation for 5-(3-bromoanilino)pentan-1-ol?
The canonical SMILES for 5-(3-bromoanilino)pentan-1-ol is OCCCCCNc1cccc(Br)c1.
What is the InChIKey of 5-(3-bromoanilino)pentan-1-ol?
The InChIKey is BXVWCQNRWVVEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8H2.
What are the key properties of 5-(3-bromoanilino)pentan-1-ol?
5-(3-bromoanilino)pentan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)pentan-1-ol is sourced from PubChem (CID 62227140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).