2-methyl-3-(4-nitrophenyl)propan-1-amine

C10H14N2O2 — CID 83637269

IUPAC2-methyl-3-(4-nitrophenyl)propan-1-amine
SMILESCC(CN)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N2O2/c1-8(7-11)6-9-2-4-10(5-3-9)12(13)14/h2-5,8H,6-7,11H2,1H3
InChIKeyJEWHKRSYYIACGL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.73
Rot. Bonds4

About 2-methyl-3-(4-nitrophenyl)propan-1-amine

2-methyl-3-(4-nitrophenyl)propan-1-amine (PubChem CID 83637269) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methyl-3-(4-nitrophenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-nitrophenyl)propan-1-amine
PubChem CID83637269
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-methyl-3-(4-nitrophenyl)propan-1-amine
SMILESCC(CN)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H14N2O2/c1-8(7-11)6-9-2-4-10(5-3-9)12(13)14/h2-5,8H,6-7,11H2,1H3
InChIKeyJEWHKRSYYIACGL-UHFFFAOYSA-N
XLogP1.73
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.73
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

(2R)-2-methyl-3-(4-nitrophenyl)propan-1-amine
CID 97000933
3-methyl-4-(4-nitrophenyl)butanethioamide
CID 112717831
(3S)-3-methyl-4-(4-nitrophenyl)butanoic acid
CID 70958911
2-N,2-N-dimethyl-3-(4-nitrophenyl)propane-1,2-diamine
CID 152755042
1-nitro-2-(4-nitrophenyl)ethanamine
CID 87584339
1-chloro-2-(4-nitrophenyl)ethanamine
CID 70573232
1-(4-nitrophenyl)-N-propan-2-ylpropan-2-amine;hydrobromide
CID 171150478
1-(2-bromo-3-methylpentyl)-4-nitrobenzene
CID 63017985
methane;methyl (2S)-2-methyl-3-(4-nitrophenyl)propanoate
CID 158629845
4-[4-methyl-2-[(4-nitrophenyl)methyl]pentyl]aniline
CID 57089529
methyl (2S)-2-[(4-nitrophenyl)methyl]-3-oxobutanoate
CID 129386294
2,3-dimethyl-4-(4-nitrophenyl)butanoic acid
CID 70037704

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-nitrophenyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4-nitrophenyl)propan-1-amine (CID 83637269) is 2-methyl-3-(4-nitrophenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-nitrophenyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4-nitrophenyl)propan-1-amine is CC(CN)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-3-(4-nitrophenyl)propan-1-amine?
The InChIKey is JEWHKRSYYIACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(7-11)6-9-2-4-10(5-3-9)12(13)14/h2-5,8H,6-7,11H2,1H3.
What are the key properties of 2-methyl-3-(4-nitrophenyl)propan-1-amine?
2-methyl-3-(4-nitrophenyl)propan-1-amine has a molecular weight of 194.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-nitrophenyl)propan-1-amine is sourced from PubChem (CID 83637269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).