N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine

C15H17N3O2 — CID 62995614

IUPACN-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
SMILESCc1ccc(CNC(C)c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-3-4-13(9-16-11)10-17-12(2)14-5-7-15(8-6-14)18(19)20/h3-9,12,17H,10H2,1-2H3
InChIKeyFCAMSDPTSFCBHX-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.15
Rot. Bonds5

About N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine

N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine (PubChem CID 62995614) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
PubChem CID62995614
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
SMILESCc1ccc(CNC(C)c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-3-4-13(9-16-11)10-17-12(2)14-5-7-15(8-6-14)18(19)20/h3-9,12,17H,10H2,1-2H3
InChIKeyFCAMSDPTSFCBHX-UHFFFAOYSA-N
XLogP3.15
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.15
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

N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline
CID 62996331
(1R)-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 81367242
N-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 43297287
1-(5-methyl-1,3-thiazol-2-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 115680252
1-(4-nitrophenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79822798
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 82732360
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
ethane;2-methyl-5-nitropyridine
CID 123657002
N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 62537905
(1S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(4-nitrophenyl)ethanamine
CID 97229964
N-[(3-methylthiophen-2-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 79822198
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine (CID 62995614) is N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine is Cc1ccc(CNC(C)c2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine?
The InChIKey is FCAMSDPTSFCBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-4-13(9-16-11)10-17-12(2)14-5-7-15(8-6-14)18(19)20/h3-9,12,17H,10H2,1-2H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine?
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine has a molecular weight of 271.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 62995614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).