2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline

C17H20N2O2 — CID 62327157

IUPAC2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
SMILESCCc1cccc(CC)c1NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H20N2O2/c1-3-14-8-6-9-15(4-2)17(14)18-12-13-7-5-10-16(11-13)19(20)21/h5-11,18H,3-4,12H2,1-2H3
InChIKeyRTNSORNZDHXNFW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.33
Rot. Bonds6

About 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline

2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline (PubChem CID 62327157) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
PubChem CID62327157
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
SMILESCCc1cccc(CC)c1NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H20N2O2/c1-3-14-8-6-9-15(4-2)17(14)18-12-13-7-5-10-16(11-13)19(20)21/h5-11,18H,3-4,12H2,1-2H3
InChIKeyRTNSORNZDHXNFW-UHFFFAOYSA-N
XLogP4.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.33
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

2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
6-ethyl-N-[(3-nitrophenyl)methyl]pyrimidin-4-amine
CID 55083921
4-bromo-3,5-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 107571686
N-[(3-nitrophenyl)methyl]methanesulfonamide
CID 47454245
[3-[(3-nitrophenyl)methylamino]phenyl]methanol
CID 43231446
3-methyl-N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 61463702
N-[(3-nitrophenyl)methylsulfamoyl]ethanamine
CID 59372566
N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
[3-[(3-nitrophenyl)methylamino]phenyl]carbamic acid
CID 66880539
3,4-dimethoxy-N-[(3-nitrophenyl)methyl]aniline
CID 28575174

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline?
The IUPAC name of 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline (CID 62327157) is 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline.
What is the SMILES notation for 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline?
The canonical SMILES for 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline is CCc1cccc(CC)c1NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline?
The InChIKey is RTNSORNZDHXNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-14-8-6-9-15(4-2)17(14)18-12-13-7-5-10-16(11-13)19(20)21/h5-11,18H,3-4,12H2,1-2H3.
What are the key properties of 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline?
2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline has a molecular weight of 284.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline is sourced from PubChem (CID 62327157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).