2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline

C14H21N3O2 — CID 107350720

IUPAC2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline
SMILESCN(Cc1cccc([N+](=O)[O-])c1N)C1CCCCC1
InChIInChI=1S/C14H21N3O2/c1-16(12-7-3-2-4-8-12)10-11-6-5-9-13(14(11)15)17(18)19/h5-6,9,12H,2-4,7-8,10,15H2,1H3
InChIKeyJCCCCTMIQCCSKV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.94
Rot. Bonds4

About 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline

2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline (PubChem CID 107350720) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline
PubChem CID107350720
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline
SMILESCN(Cc1cccc([N+](=O)[O-])c1N)C1CCCCC1
InChIInChI=1S/C14H21N3O2/c1-16(12-7-3-2-4-8-12)10-11-6-5-9-13(14(11)15)17(18)19/h5-6,9,12H,2-4,7-8,10,15H2,1H3
InChIKeyJCCCCTMIQCCSKV-UHFFFAOYSA-N
XLogP2.94
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.94
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

N-[(2-amino-3-nitrophenyl)methyl]-N-methyloxan-4-amine
CID 107350901
2-[[cyclopentyl(methyl)amino]methyl]-6-nitro-N-propylaniline
CID 107350798
2-[(2,6-dimethylpiperidin-1-yl)methyl]-6-nitroaniline
CID 107350725
2-[[methyl(oxan-3-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351335
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-nitrobenzamide
CID 52719201
N-methyl-N-[(2-nitrophenyl)methyl]-1-oxothian-4-amine
CID 75408181
2-[[methyl(pentan-3-yl)amino]methyl]-6-nitroaniline
CID 107350885
2-[[bis(2-methylpropyl)amino]methyl]-6-nitroaniline
CID 107350943
4-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
CID 107348198
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid
CID 104824298
N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 107351082

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline (CID 107350720) is 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline is CN(Cc1cccc([N+](=O)[O-])c1N)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline?
The InChIKey is JCCCCTMIQCCSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(12-7-3-2-4-8-12)10-11-6-5-9-13(14(11)15)17(18)19/h5-6,9,12H,2-4,7-8,10,15H2,1H3.
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline?
2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline has a molecular weight of 263.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline is sourced from PubChem (CID 107350720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).