(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine

C16H18N2O2 — CID 43825316

IUPAC(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
SMILESCCc1ccc(C(N)c2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C16H18N2O2/c1-3-12-5-7-13(8-6-12)16(17)15-10-14(18(19)20)9-4-11(15)2/h4-10,16H,3,17H2,1-2H3
InChIKeyOMCXCKLAWJUUQY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.51
Rot. Bonds4

About (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine

(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine (PubChem CID 43825316) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
PubChem CID43825316
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
SMILESCCc1ccc(C(N)c2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C16H18N2O2/c1-3-12-5-7-13(8-6-12)16(17)15-10-14(18(19)20)9-4-11(15)2/h4-10,16H,3,17H2,1-2H3
InChIKeyOMCXCKLAWJUUQY-UHFFFAOYSA-N
XLogP3.51
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.51
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-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43825315
(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine
CID 43825641
(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825297
(3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine
CID 43824965
1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825307
azane;1-ethyl-4-nitrobenzene
CID 19043225
ethane;1-methyl-4-nitro-2-propan-2-ylbenzene
CID 143798410
2-[(1S)-1-chloroethyl]-1-methyl-4-nitrobenzene
CID 97184321
1-ethyl-4-nitrobenzene;1-phenylethylbenzene
CID 145486394
4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 2840601
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]azanium
CID 8992164

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine?
The IUPAC name of (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine (CID 43825316) is (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine?
The canonical SMILES for (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine is CCc1ccc(C(N)c2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine?
The InChIKey is OMCXCKLAWJUUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-12-5-7-13(8-6-12)16(17)15-10-14(18(19)20)9-4-11(15)2/h4-10,16H,3,17H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine?
(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine has a molecular weight of 270.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 43825316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).