5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline

C15H15ClN2O2 — CID 115555657

IUPAC5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NCCc1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-11-9-15(18(19)20)13(16)10-14(11)17-8-7-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8H2,1H3
InChIKeyHNVLTISCKWLSOM-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.21
Rot. Bonds5

About 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline

5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline (PubChem CID 115555657) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline
PubChem CID115555657
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NCCc1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-11-9-15(18(19)20)13(16)10-14(11)17-8-7-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8H2,1H3
InChIKeyHNVLTISCKWLSOM-UHFFFAOYSA-N
XLogP4.21
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.21
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

5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-nitroaniline
CID 115555653
N'-(5-chloro-2-methyl-4-nitrophenyl)-N-methylethane-1,2-diamine
CID 115556069
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 104667866
5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline
CID 106177686
N-[(2-aminophenyl)methyl]-5-chloro-2-methyl-4-nitroaniline
CID 104667854
5-chloro-2-methyl-4-nitro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]aniline
CID 107489503
5-chloro-N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-nitroaniline
CID 104667941
4-(5-chloro-2-methyl-4-nitroanilino)butanamide
CID 115555717
4-tert-butyl-2-nitro-N-(2-phenylethyl)aniline
CID 159365947
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
5-chloro-2-methyl-4-nitro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 104667898
1-[2-(5-chloro-2-methyl-4-nitroanilino)ethylamino]propan-2-ol
CID 104594409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline?
The IUPAC name of 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline (CID 115555657) is 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline.
What is the SMILES notation for 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline?
The canonical SMILES for 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline is Cc1cc([N+](=O)[O-])c(Cl)cc1NCCc1ccccc1.
What is the InChIKey of 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline?
The InChIKey is HNVLTISCKWLSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11-9-15(18(19)20)13(16)10-14(11)17-8-7-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8H2,1H3.
What are the key properties of 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline?
5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline has a molecular weight of 290.75 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline is sourced from PubChem (CID 115555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).