2-(cyclohexylmethoxy)-5-nitroaniline

C13H18N2O3 — CID 62508639

IUPAC2-(cyclohexylmethoxy)-5-nitroaniline
SMILESNc1cc([N+](=O)[O-])ccc1OCC1CCCCC1
InChIInChI=1S/C13H18N2O3/c14-12-8-11(15(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,14H2
InChIKeyQVAQYJYULHJASY-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.14
Rot. Bonds4

About 2-(cyclohexylmethoxy)-5-nitroaniline

2-(cyclohexylmethoxy)-5-nitroaniline (PubChem CID 62508639) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-5-nitroaniline.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-5-nitroaniline
PubChem CID62508639
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(cyclohexylmethoxy)-5-nitroaniline
SMILESNc1cc([N+](=O)[O-])ccc1OCC1CCCCC1
InChIInChI=1S/C13H18N2O3/c14-12-8-11(15(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,14H2
InChIKeyQVAQYJYULHJASY-UHFFFAOYSA-N
XLogP3.14
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(cyclobutylmethoxy)-4-nitrobenzene
CID 125465351
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-nitrobenzene
CID 43472996
2-(cyclopentylmethoxy)-5-nitrobenzoic acid
CID 61343557
[2-(cyclobutylmethoxy)-5-nitrophenyl]methanol
CID 65458309
1-(cyclohexylmethoxy)-3-nitrobenzene
CID 112800827
1-(cyclopropylmethoxy)-4-nitro-2-(trifluoromethyl)benzene
CID 10563340
N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine
CID 65458475
1-N-(cyclobutylmethyl)-4-nitrobenzene-1,2-diamine
CID 62507452
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
4-(bromomethyl)-1-(cyclohexylmethoxy)-2-nitrobenzene
CID 43324624
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
CID 82901614

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-5-nitroaniline?
The IUPAC name of 2-(cyclohexylmethoxy)-5-nitroaniline (CID 62508639) is 2-(cyclohexylmethoxy)-5-nitroaniline.
What is the SMILES notation for 2-(cyclohexylmethoxy)-5-nitroaniline?
The canonical SMILES for 2-(cyclohexylmethoxy)-5-nitroaniline is Nc1cc([N+](=O)[O-])ccc1OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-5-nitroaniline?
The InChIKey is QVAQYJYULHJASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-12-8-11(15(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,14H2.
What are the key properties of 2-(cyclohexylmethoxy)-5-nitroaniline?
2-(cyclohexylmethoxy)-5-nitroaniline has a molecular weight of 250.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-5-nitroaniline is sourced from PubChem (CID 62508639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).