N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine

C16H18N2O2 — CID 142706104

IUPACN-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine
SMILESCc1cccc([N+](=O)[O-])c1CNCCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-13-6-5-9-16(18(19)20)15(13)12-17-11-10-14-7-3-2-4-8-14/h2-9,17H,10-12H2,1H3
InChIKeyGBYQVYXGBNASNU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.24
Rot. Bonds6

About N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine

N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine (PubChem CID 142706104) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine
PubChem CID142706104
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine
SMILESCc1cccc([N+](=O)[O-])c1CNCCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-13-6-5-9-16(18(19)20)15(13)12-17-11-10-14-7-3-2-4-8-14/h2-9,17H,10-12H2,1H3
InChIKeyGBYQVYXGBNASNU-UHFFFAOYSA-N
XLogP3.24
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-nitrophenyl)methyl]-2-phenylethanamine
CID 2063752
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
N-[(5-methyl-2-nitrophenyl)methyl]-2-phenylethanamine;4-methyl-2-[(2-phenylethylamino)methyl]aniline
CID 161111304
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
2-benzyl-6-methyl-3-nitrobenzaldehyde
CID 58374389
N-[(5-methyl-2-nitrophenyl)methyl]-3-phenylpropan-1-amine
CID 142706091
1-(4,5-dimethyl-2-nitrophenyl)-3-(2-phenylethyl)thiourea
CID 23819141
N-[(3-bromophenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063144
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline
CID 115555657
2-methyl-3-nitro-N-(4-phenylbutan-2-yl)aniline
CID 43719674

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine (CID 142706104) is N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine is Cc1cccc([N+](=O)[O-])c1CNCCc1ccccc1.
What is the InChIKey of N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine?
The InChIKey is GBYQVYXGBNASNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13-6-5-9-16(18(19)20)15(13)12-17-11-10-14-7-3-2-4-8-14/h2-9,17H,10-12H2,1H3.
What are the key properties of N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine?
N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine has a molecular weight of 270.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-nitrophenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 142706104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).