2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

C15H22N2O2 — CID 66475379

IUPAC2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCC1(C)C(C(N)Cc2ccccc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C15H22N2O2/c1-14(2)13(15(14,3)4)11(16)9-10-7-5-6-8-12(10)17(18)19/h5-8,11,13H,9,16H2,1-4H3
InChIKeySVPRAXAVHNHPGD-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (PubChem CID 66475379) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
PubChem CID66475379
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCC1(C)C(C(N)Cc2ccccc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C15H22N2O2/c1-14(2)13(15(14,3)4)11(16)9-10-7-5-6-8-12(10)17(18)19/h5-8,11,13H,9,16H2,1-4H3
InChIKeySVPRAXAVHNHPGD-UHFFFAOYSA-N
XLogP3.15
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.15
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

1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine
CID 106827568
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
1-(2,2-dimethoxyethyl)-2-nitrobenzene
CID 10330783
1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
CID 65017800
1-(2-nitrophenyl)nonan-2-amine
CID 61078660
methyl (2S)-2-amino-3-(2-nitrophenyl)propanoate;hydrochloride
CID 67675952
1-(2-nitrophenyl)pentan-3-amine
CID 43370528
2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153343

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The IUPAC name of 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (CID 66475379) is 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The canonical SMILES for 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is CC1(C)C(C(N)Cc2ccccc2[N+](=O)[O-])C1(C)C.
What is the InChIKey of 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The InChIKey is SVPRAXAVHNHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2)13(15(14,3)4)11(16)9-10-7-5-6-8-12(10)17(18)19/h5-8,11,13H,9,16H2,1-4H3.
What are the key properties of 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is sourced from PubChem (CID 66475379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).