1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine

C10H13ClN2O2 — CID 65015630

IUPAC1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13ClN2O2/c1-10(2,12)6-7-8(11)4-3-5-9(7)13(14)15/h3-5H,6,12H2,1-2H3
InChIKeyDCYJHFXZXBNHIM-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine

1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine (PubChem CID 65015630) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine
PubChem CID65015630
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13ClN2O2/c1-10(2,12)6-7-8(11)4-3-5-9(7)13(14)15/h3-5H,6,12H2,1-2H3
InChIKeyDCYJHFXZXBNHIM-UHFFFAOYSA-N
XLogP2.53
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.53
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-[(2-chloro-6-nitrophenyl)methyl]-2-methylbutanoic acid
CID 55243229
1-[(2-chloro-6-nitrophenyl)methylsulfinyl]-2-methylpropan-2-amine
CID 81189929
3-(aminomethyl)-4-(2-chloro-6-nitrophenyl)-3-methylbutan-2-ol
CID 65393412
N-[(2-chloro-6-nitrophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63747503
(2-chloro-6-nitrophenyl)methylhydrazine
CID 63746619
4-(2-chloro-6-nitrophenyl)-3-methylbutan-2-amine
CID 63745133
1-(2-chloro-6-nitrophenyl)butan-2-amine
CID 65020045
1-chloro-2-methyl-3-nitrobenzene
CID 6740
N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
N-(2-amino-2-methylpropyl)-2-chloro-6-nitrobenzenesulfonamide
CID 119988199
N'-[(2-chloro-6-nitrophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 113285782
2-[(2-chloro-6-nitrophenyl)methyl]-3-methylbutanoic acid
CID 55243228

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine (CID 65015630) is 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine?
The InChIKey is DCYJHFXZXBNHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2,12)6-7-8(11)4-3-5-9(7)13(14)15/h3-5H,6,12H2,1-2H3.
What are the key properties of 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine?
1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine has a molecular weight of 228.68 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 65015630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).