4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine

C13H19BrN2O — CID 63825845

IUPAC4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
SMILESNc1cc(Br)ccc1NCCOC1CCCC1
InChIInChI=1S/C13H19BrN2O/c14-10-5-6-13(12(15)9-10)16-7-8-17-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8,15H2
InChIKeyFCPDCRVQYBESJQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.40
Rot. Bonds5

About 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine

4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine (PubChem CID 63825845) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
PubChem CID63825845
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
SMILESNc1cc(Br)ccc1NCCOC1CCCC1
InChIInChI=1S/C13H19BrN2O/c14-10-5-6-13(12(15)9-10)16-7-8-17-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8,15H2
InChIKeyFCPDCRVQYBESJQ-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 65342141
4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63826034
3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid
CID 63834095
4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
CID 65484392
3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
CID 106949384
4-bromo-N-(2-cyclohexyloxyethyl)-2-nitroaniline
CID 63828256
5-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
CID 107286281
6-bromo-4-N-(2-cyclopentyloxyethyl)quinoline-3,4-diamine
CID 63826014
4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
CID 63826013
2-bromo-N-(2-cyclohexyloxyethyl)aniline
CID 55088144
2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline
CID 115511700
4-bromo-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 62642302

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine (CID 63825845) is 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine is Nc1cc(Br)ccc1NCCOC1CCCC1.
What is the InChIKey of 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine?
The InChIKey is FCPDCRVQYBESJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-10-5-6-13(12(15)9-10)16-7-8-17-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8,15H2.
What are the key properties of 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine?
4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine has a molecular weight of 299.21 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 63825845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).