N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine

C10H14N2O2 — CID 58723694

IUPACN,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine
SMILESCc1ccc(CN(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O2/c1-8-4-5-9(7-11(2)3)6-10(8)12(13)14/h4-6H,7H2,1-3H3
InChIKeyHSNWJOUQLRPCFT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.96
Rot. Bonds3

About N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine

N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine (PubChem CID 58723694) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine
PubChem CID58723694
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine
SMILESCc1ccc(CN(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O2/c1-8-4-5-9(7-11(2)3)6-10(8)12(13)14/h4-6H,7H2,1-3H3
InChIKeyHSNWJOUQLRPCFT-UHFFFAOYSA-N
XLogP1.96
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
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-methyl-3-nitrophenyl)methanamine
CID 18468134
1-methyl-2-nitro-4-(nitromethyl)benzene
CID 14871716
methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane
CID 148599913
5-[(dimethylamino)methyl]-2-nitrobenzenesulfonamide
CID 177043028
4-(bromomethyl)-1-methyl-2-nitrobenzene;(4-methyl-3-nitrophenyl)methanol;tribromophosphane
CID 161039553
N,N-dimethyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanesulfonamide
CID 106335376
1,4-dimethyl-2-nitrobenzene
CID 20849377
(4-methyl-3-nitrophenyl)methyl methanesulfonate
CID 20800288
1-[(4-methyl-3-nitrophenyl)methyl]pyrrole-2,5-dione
CID 102248981
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]-N-[(4-methyl-3-nitrophenyl)methyl]acetamide
CID 154879725
N-[(2-ethylphenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 64680079
1-(4-methyl-3-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720069

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine (CID 58723694) is N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine is Cc1ccc(CN(C)C)cc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine?
The InChIKey is HSNWJOUQLRPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-4-5-9(7-11(2)3)6-10(8)12(13)14/h4-6H,7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine?
N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine has a molecular weight of 194.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine is sourced from PubChem (CID 58723694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).