N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

C10H14N2O2 — CID 22170308

IUPACN-[(2-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCCNCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H14N2O2/c1-3-11-7-9-5-4-6-10(8(9)2)12(13)14/h4-6,11H,3,7H2,1-2H3
InChIKeyPTRFYCBSPHWKBE-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.01
Rot. Bonds4

About N-[(2-methyl-3-nitrophenyl)methyl]ethanamine

N-[(2-methyl-3-nitrophenyl)methyl]ethanamine (PubChem CID 22170308) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-[(2-methyl-3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-3-nitrophenyl)methyl]ethanamine
PubChem CID22170308
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-[(2-methyl-3-nitrophenyl)methyl]ethanamine
SMILESCCNCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H14N2O2/c1-3-11-7-9-5-4-6-10(8(9)2)12(13)14/h4-6,11H,3,7H2,1-2H3
InChIKeyPTRFYCBSPHWKBE-UHFFFAOYSA-N
XLogP2.01
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.01
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

N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
2-[(2-methyl-3-nitrophenyl)methylamino]ethylurea
CID 83113507
3-[[(2-methyl-3-nitrophenyl)methylamino]methyl]phenol
CID 103114699
1,1-difluoro-3-[(2-methyl-3-nitrophenyl)methylamino]propan-2-ol
CID 114093427
2-[(2-methyl-3-nitrophenyl)methylamino]-1-phenylethanol
CID 43509086
1-(2-methyl-3-nitrophenyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
CID 103528033
1,1-dimethyl-3-[2-[(2-methyl-3-nitrophenyl)methylamino]ethyl]urea
CID 83120900
1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
CID 43509052

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-3-nitrophenyl)methyl]ethanamine (CID 22170308) is N-[(2-methyl-3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-3-nitrophenyl)methyl]ethanamine is CCNCc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
The InChIKey is PTRFYCBSPHWKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-11-7-9-5-4-6-10(8(9)2)12(13)14/h4-6,11H,3,7H2,1-2H3.
What are the key properties of N-[(2-methyl-3-nitrophenyl)methyl]ethanamine?
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine has a molecular weight of 194.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 22170308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).