(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine

C17H20N2O2 — CID 43825315

IUPAC(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1ccc([N+](=O)[O-])cc1C(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20N2O2/c1-11(2)13-5-7-14(8-6-13)17(18)16-10-15(19(20)21)9-4-12(16)3/h4-11,17H,18H2,1-3H3
InChIKeyRJOYKTYWMNBQGM-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.07
Rot. Bonds4

About (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine

(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 43825315) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID43825315
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1ccc([N+](=O)[O-])cc1C(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20N2O2/c1-11(2)13-5-7-14(8-6-13)17(18)16-10-15(19(20)21)9-4-12(16)3/h4-11,17H,18H2,1-3H3
InChIKeyRJOYKTYWMNBQGM-UHFFFAOYSA-N
XLogP4.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.07
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

(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825316
ethane;1-methyl-4-nitro-2-propan-2-ylbenzene
CID 143798410
(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine
CID 43825641
2-[(1S)-1-chloroethyl]-1-methyl-4-nitrobenzene
CID 97184321
(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825297
1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825307
N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004
(1S)-1-[4-(2-methyl-5-nitrophenoxy)phenyl]ethanamine
CID 63370156
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
CID 158735382
CID 158735382
(3-chlorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825064

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine (CID 43825315) is (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine is Cc1ccc([N+](=O)[O-])cc1C(N)c1ccc(C(C)C)cc1.
What is the InChIKey of (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is RJOYKTYWMNBQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(2)13-5-7-14(8-6-13)17(18)16-10-15(19(20)21)9-4-12(16)3/h4-11,17H,18H2,1-3H3.
What are the key properties of (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine?
(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 284.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 43825315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).