2-chloro-5-nitro-N-(2-phenylpropyl)aniline

C15H15ClN2O2 — CID 43718780

IUPAC2-chloro-5-nitro-N-(2-phenylpropyl)aniline
SMILESCC(CNc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-11(12-5-3-2-4-6-12)10-17-15-9-13(18(19)20)7-8-14(15)16/h2-9,11,17H,10H2,1H3
InChIKeyNMAPUJCKWAWPJK-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.46
Rot. Bonds5

About 2-chloro-5-nitro-N-(2-phenylpropyl)aniline

2-chloro-5-nitro-N-(2-phenylpropyl)aniline (PubChem CID 43718780) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(2-phenylpropyl)aniline.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(2-phenylpropyl)aniline
PubChem CID43718780
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-5-nitro-N-(2-phenylpropyl)aniline
SMILESCC(CNc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-11(12-5-3-2-4-6-12)10-17-15-9-13(18(19)20)7-8-14(15)16/h2-9,11,17H,10H2,1H3
InChIKeyNMAPUJCKWAWPJK-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
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-chloro-5-nitro-N-(2,3,3-trimethylbutyl)aniline
CID 114270475
2-chloro-N-ethyl-5-nitroaniline
CID 43718971
(1R)-N'-(2-chloro-4-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 7834758
N'-(2-chloro-4-nitrophenyl)-1-phenylethane-1,2-diamine
CID 63120881
2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline
CID 63444733
2-chloro-N-[(2-chlorophenyl)methyl]-5-nitroaniline
CID 43718808
1-N-methyl-5-nitro-3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104592594
3-bromo-5-nitro-N-(2-phenylpropyl)pyridin-2-amine
CID 104591694
4-nitro-3-(2-phenylpropylamino)benzonitrile
CID 104713844
2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline
CID 43725067
2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide
CID 55588452
1-(2-chloro-5-nitrophenyl)-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea
CID 9233103

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(2-phenylpropyl)aniline?
The IUPAC name of 2-chloro-5-nitro-N-(2-phenylpropyl)aniline (CID 43718780) is 2-chloro-5-nitro-N-(2-phenylpropyl)aniline.
What is the SMILES notation for 2-chloro-5-nitro-N-(2-phenylpropyl)aniline?
The canonical SMILES for 2-chloro-5-nitro-N-(2-phenylpropyl)aniline is CC(CNc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-5-nitro-N-(2-phenylpropyl)aniline?
The InChIKey is NMAPUJCKWAWPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11(12-5-3-2-4-6-12)10-17-15-9-13(18(19)20)7-8-14(15)16/h2-9,11,17H,10H2,1H3.
What are the key properties of 2-chloro-5-nitro-N-(2-phenylpropyl)aniline?
2-chloro-5-nitro-N-(2-phenylpropyl)aniline has a molecular weight of 290.75 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(2-phenylpropyl)aniline is sourced from PubChem (CID 43718780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).