N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine

C16H19N3O2 — CID 63199963

IUPACN-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine
SMILESCCNC(Cc1ncc([N+](=O)[O-])cc1C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-3-17-16(13-7-5-4-6-8-13)10-15-12(2)9-14(11-18-15)19(20)21/h4-9,11,16-17H,3,10H2,1-2H3
InChIKeyNVHNLZRQUNRIQB-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.19
Rot. Bonds6

About N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine

N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine (PubChem CID 63199963) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine
PubChem CID63199963
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine
SMILESCCNC(Cc1ncc([N+](=O)[O-])cc1C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-3-17-16(13-7-5-4-6-8-13)10-15-12(2)9-14(11-18-15)19(20)21/h4-9,11,16-17H,3,10H2,1-2H3
InChIKeyNVHNLZRQUNRIQB-UHFFFAOYSA-N
XLogP3.19
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine
CID 79531257
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
1-methoxy-3-(3-methyl-5-nitro-2-pyridinyl)-N-propylpropan-2-amine
CID 55163945
2-(2-chloro-3,3-dimethylbutyl)-3-methyl-5-nitropyridine
CID 63202846
N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine
CID 61064478
N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199442
3-bromo-5-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 79534888
2-benzylsulfanyl-3-methyl-5-nitropyridine
CID 67173438
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
N-(2-methoxy-1-phenylethyl)-2-methyl-4-nitroaniline
CID 103463803
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine?
The IUPAC name of N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine (CID 63199963) is N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine is CCNC(Cc1ncc([N+](=O)[O-])cc1C)c1ccccc1.
What is the InChIKey of N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine?
The InChIKey is NVHNLZRQUNRIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-17-16(13-7-5-4-6-8-13)10-15-12(2)9-14(11-18-15)19(20)21/h4-9,11,16-17H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine?
N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine has a molecular weight of 285.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine is sourced from PubChem (CID 63199963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).