1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine

C14H13Cl2N3O2 — CID 70086432

IUPAC1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-14(17,7-9-2-4-11(15)12(16)6-9)13-5-3-10(8-18-13)19(20)21/h2-6,8H,7,17H2,1H3
InChIKeyGXZQQHUGJUNTSV-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.71
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine

1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine (PubChem CID 70086432) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine
PubChem CID70086432
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-14(17,7-9-2-4-11(15)12(16)6-9)13-5-3-10(8-18-13)19(20)21/h2-6,8H,7,17H2,1H3
InChIKeyGXZQQHUGJUNTSV-UHFFFAOYSA-N
XLogP3.71
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3,4-dichlorophenyl)methylsulfanyl]-5-nitropyridine
CID 2960257
1-(4-chloro-3-nitrophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748207
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
2-chloro-5-nitropyridine;6-chloropyridin-3-amine
CID 87669080
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
2-(4-chloro-3-methylphenyl)sulfonyl-5-nitropyridine
CID 118230894
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-5-nitroaniline
CID 43719036
(1S,2R)-2-[(3,4-dichlorophenyl)methylamino]-1-(4-nitrophenyl)propane-1,3-diol
CID 31085704
ethyl 2-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]acetate
CID 70984993
3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
CID 14181025
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 43010406
2-[(3,4-dichlorophenyl)methylamino]-5-nitrobenzonitrile
CID 43742415

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine (CID 70086432) is 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine is CC(N)(Cc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine?
The InChIKey is GXZQQHUGJUNTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-14(17,7-9-2-4-11(15)12(16)6-9)13-5-3-10(8-18-13)19(20)21/h2-6,8H,7,17H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine?
1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine has a molecular weight of 326.18 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(5-nitro-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 70086432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).