N-(5-bromopentyl)aniline

C11H16BrN — CID 20759134

IUPACN-(5-bromopentyl)aniline
SMILESBrCCCCCNc1ccccc1
InChIInChI=1S/C11H16BrN/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyVYRVTZLZYJFADT-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.66
Rot. Bonds6

About N-(5-bromopentyl)aniline

N-(5-bromopentyl)aniline (PubChem CID 20759134) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is N-(5-bromopentyl)aniline.

Molecular Properties

Compound NameN-(5-bromopentyl)aniline
PubChem CID20759134
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC NameN-(5-bromopentyl)aniline
SMILESBrCCCCCNc1ccccc1
InChIInChI=1S/C11H16BrN/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyVYRVTZLZYJFADT-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N'-phenylheptane-1,7-diamine
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N-heptylaniline;hydrate
CID 174886464
N-oct-7-enylaniline
CID 101291024
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
5-anilinopentane-1-sulfonyl chloride
CID 88814944
N-(12-ethoxydodecyl)aniline
CID 54545171
N-hex-5-ynylaniline
CID 166956597
5-anilinopentanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)aniline?
The IUPAC name of N-(5-bromopentyl)aniline (CID 20759134) is N-(5-bromopentyl)aniline.
What is the SMILES notation for N-(5-bromopentyl)aniline?
The canonical SMILES for N-(5-bromopentyl)aniline is BrCCCCCNc1ccccc1.
What is the InChIKey of N-(5-bromopentyl)aniline?
The InChIKey is VYRVTZLZYJFADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2.
What are the key properties of N-(5-bromopentyl)aniline?
N-(5-bromopentyl)aniline has a molecular weight of 242.16 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)aniline is sourced from PubChem (CID 20759134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).