2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine

C17H20N2O2 — CID 43825519

IUPAC2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine
SMILESCc1cc(C(N)C(C)(C)c2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C17H20N2O2/c1-12-9-13(11-15(10-12)19(20)21)16(18)17(2,3)14-7-5-4-6-8-14/h4-11,16H,18H2,1-3H3
InChIKeyRKSOLXVFSPPJOO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.88
Rot. Bonds4

About 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine

2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine (PubChem CID 43825519) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine
PubChem CID43825519
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine
SMILESCc1cc(C(N)C(C)(C)c2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C17H20N2O2/c1-12-9-13(11-15(10-12)19(20)21)16(18)17(2,3)14-7-5-4-6-8-14/h4-11,16H,18H2,1-3H3
InChIKeyRKSOLXVFSPPJOO-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825498
(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825492
N'-(3-methyl-5-nitrophenyl)-1-phenylpropane-1,3-diamine
CID 115981556
(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825493
(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825521
2-(3-methyl-5-nitroanilino)-2-phenylpropan-1-ol
CID 105058448
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-amine
CID 43184848
2-(3-methyl-5-nitroanilino)-1-phenylethanol
CID 115981217
(3R)-3-amino-2,2-dimethyl-3-(4-nitrophenyl)propanoic acid
CID 177432789
4-iodophosphanyl-1-(3-methyl-5-nitrophenyl)butan-1-amine
CID 142963025
(1R,2R)-2-N',2-N'-dimethyl-1-(4-nitrophenyl)-3-trityloxypropane-1,2,2-triamine
CID 164900865
(4-nitrophenyl)-phenylmethanamine
CID 19975165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine?
The IUPAC name of 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine (CID 43825519) is 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine is Cc1cc(C(N)C(C)(C)c2ccccc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine?
The InChIKey is RKSOLXVFSPPJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-9-13(11-15(10-12)19(20)21)16(18)17(2,3)14-7-5-4-6-8-14/h4-11,16H,18H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine?
2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine has a molecular weight of 284.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 43825519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).