3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine

C11H14Cl2N2O2 — CID 170865387

IUPAC3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-14(2)7-3-4-8-9(12)5-6-10(11(8)13)15(16)17/h5-6H,3-4,7H2,1-2H3
InChIKeyGQIFODHBJWVDQY-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.40
Rot. Bonds5

About 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine

3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170865387) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine
PubChem CID170865387
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-14(2)7-3-4-8-9(12)5-6-10(11(8)13)15(16)17/h5-6H,3-4,7H2,1-2H3
InChIKeyGQIFODHBJWVDQY-UHFFFAOYSA-N
XLogP3.40
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.40
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

1-(2,6-dichloro-3-nitrophenyl)propan-2-amine
CID 131531071
2-(2,6-dichloro-3-nitrophenyl)acetic acid
CID 54265437
N-[(2-chloro-6-nitrophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 63746293
(2-chloro-6-methyl-3-nitrophenyl)methanol
CID 130826389
1,2-dichloro-3-ethyl-4-nitrobenzene
CID 66639996
3-chloro-N-[3-(dimethylamino)propyl]-N-methyl-4-nitrobenzamide
CID 82781655
N-[(2-chloro-6-nitrophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63746130
N-(2-chloro-6-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62084069
2-chloro-N-[3-(dimethylamino)propyl]-3-nitrobenzamide
CID 19779109
N,N-dimethyl-3-(1-nitroacridin-9-yl)propan-1-amine
CID 102268628
(2,3-dichloro-6-nitrophenyl)methanol
CID 11160370
3-chloro-2-(chloromethyl)-6-nitrophenol
CID 154191043

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine (CID 170865387) is 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1c(Cl)ccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is GQIFODHBJWVDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-14(2)7-3-4-8-9(12)5-6-10(11(8)13)15(16)17/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine?
3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 277.15 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).