3-bromo-N-cyclopentyl-4-methoxyaniline

C12H16BrNO — CID 63999867

IUPAC3-bromo-N-cyclopentyl-4-methoxyaniline
SMILESCOc1ccc(NC2CCCC2)cc1Br
InChIInChI=1S/C12H16BrNO/c1-15-12-7-6-10(8-11(12)13)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeyOFYRIULPXQEQEV-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.81
Rot. Bonds3

About 3-bromo-N-cyclopentyl-4-methoxyaniline

3-bromo-N-cyclopentyl-4-methoxyaniline (PubChem CID 63999867) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-4-methoxyaniline.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-4-methoxyaniline
PubChem CID63999867
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-bromo-N-cyclopentyl-4-methoxyaniline
SMILESCOc1ccc(NC2CCCC2)cc1Br
InChIInChI=1S/C12H16BrNO/c1-15-12-7-6-10(8-11(12)13)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3
InChIKeyOFYRIULPXQEQEV-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methoxyphenyl)cycloheptanamine
CID 82858294
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline
CID 113414428
3-bromo-N-(3-methoxycyclohexyl)-4-(trifluoromethoxy)aniline
CID 107335818
N-(4-bromo-3-methoxyphenyl)thian-4-amine
CID 79479282
N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
4-bromo-3-methoxy-N-(4-propan-2-ylcyclohexyl)aniline
CID 82858349
4-bromo-1-N-cyclopentylbenzene-1,3-diamine
CID 82934286

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-4-methoxyaniline?
The IUPAC name of 3-bromo-N-cyclopentyl-4-methoxyaniline (CID 63999867) is 3-bromo-N-cyclopentyl-4-methoxyaniline.
What is the SMILES notation for 3-bromo-N-cyclopentyl-4-methoxyaniline?
The canonical SMILES for 3-bromo-N-cyclopentyl-4-methoxyaniline is COc1ccc(NC2CCCC2)cc1Br.
What is the InChIKey of 3-bromo-N-cyclopentyl-4-methoxyaniline?
The InChIKey is OFYRIULPXQEQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-15-12-7-6-10(8-11(12)13)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3.
What are the key properties of 3-bromo-N-cyclopentyl-4-methoxyaniline?
3-bromo-N-cyclopentyl-4-methoxyaniline has a molecular weight of 270.17 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-4-methoxyaniline is sourced from PubChem (CID 63999867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).