5-bromo-N-(cyclopropylmethyl)-2-nitroaniline

C10H11BrN2O2 — CID 65341443

IUPAC5-bromo-N-(cyclopropylmethyl)-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Br)cc1NCC1CC1
InChIInChI=1S/C10H11BrN2O2/c11-8-3-4-10(13(14)15)9(5-8)12-6-7-1-2-7/h3-5,7,12H,1-2,6H2
InChIKeyBANPHRWLCBMZDZ-UHFFFAOYSA-N
MW271.11 g/mol
LogP3.18
Rot. Bonds4

About 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline

5-bromo-N-(cyclopropylmethyl)-2-nitroaniline (PubChem CID 65341443) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-2-nitroaniline
PubChem CID65341443
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-bromo-N-(cyclopropylmethyl)-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Br)cc1NCC1CC1
InChIInChI=1S/C10H11BrN2O2/c11-8-3-4-10(13(14)15)9(5-8)12-6-7-1-2-7/h3-5,7,12H,1-2,6H2
InChIKeyBANPHRWLCBMZDZ-UHFFFAOYSA-N
XLogP3.18
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-nitro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]aniline
CID 65341682
4-bromo-2-nitro-N-(oxan-4-ylmethyl)aniline
CID 62386169
2-[4-[(5-bromo-2-nitroanilino)methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 133368808
[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol
CID 122539176
4-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
CID 106130359
5-bromo-2-nitro-N-(2-piperidin-4-yloxyethyl)aniline
CID 65343067
5-bromo-N-[(4-bromophenyl)methyl]-2-nitroaniline
CID 24902998
5-chloro-2-nitro-N-(oxan-4-ylmethyl)aniline
CID 62386853
5-bromo-N-(cyclopentylmethyl)-2-nitrobenzenesulfonamide
CID 61016024
5-bromo-2-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 65343623
5-bromo-N-(2-methoxypropyl)-2-nitroaniline
CID 102699028
[4-nitro-3-(oxan-4-ylmethylamino)phenyl]methanol
CID 134248317

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline (CID 65341443) is 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline is O=[N+]([O-])c1ccc(Br)cc1NCC1CC1.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline?
The InChIKey is BANPHRWLCBMZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-3-4-10(13(14)15)9(5-8)12-6-7-1-2-7/h3-5,7,12H,1-2,6H2.
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline?
5-bromo-N-(cyclopropylmethyl)-2-nitroaniline has a molecular weight of 271.11 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-2-nitroaniline is sourced from PubChem (CID 65341443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).