4-chloro-3-nitro-N-(1-phenylpropyl)aniline

C15H15ClN2O2 — CID 43719522

IUPAC4-chloro-3-nitro-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-2-14(11-6-4-3-5-7-11)17-12-8-9-13(16)15(10-12)18(19)20/h3-10,14,17H,2H2,1H3
InChIKeyGRGSOHBKSJTNER-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.81
Rot. Bonds5

About 4-chloro-3-nitro-N-(1-phenylpropyl)aniline

4-chloro-3-nitro-N-(1-phenylpropyl)aniline (PubChem CID 43719522) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(1-phenylpropyl)aniline.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(1-phenylpropyl)aniline
PubChem CID43719522
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-3-nitro-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-2-14(11-6-4-3-5-7-11)17-12-8-9-13(16)15(10-12)18(19)20/h3-10,14,17H,2H2,1H3
InChIKeyGRGSOHBKSJTNER-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
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

4-chloro-3-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 43719388
N-[1-(3-bromophenyl)propyl]-3-chloro-4-nitroaniline
CID 82865451
N-[1-(4-chlorophenyl)propyl]-4-methyl-3-nitroaniline
CID 43718385
4-chloro-N-(3-methylpentan-2-yl)-3-nitroaniline
CID 43719386
3-bromo-N-[1-(3-chlorophenyl)propyl]-4-nitroaniline
CID 82863384
4-bromo-N-[1-(3-bromophenyl)propyl]-3-nitroaniline
CID 79753302
4-chloro-N-(1-cyclopropylpropyl)-3-nitroaniline
CID 64917775
3-methyl-N-[1-(4-methylphenyl)propyl]-4-nitroaniline
CID 63455234
N-[1-(3-fluorophenyl)propyl]-4-methyl-3-nitroaniline
CID 114871280
1-(4-chloro-3-nitrophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452733
2-(4-chloro-3-nitroanilino)propanoic acid
CID 66174319
3-nitro-4-(1-phenylpropylamino)phenol
CID 43750945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-(1-phenylpropyl)aniline?
The IUPAC name of 4-chloro-3-nitro-N-(1-phenylpropyl)aniline (CID 43719522) is 4-chloro-3-nitro-N-(1-phenylpropyl)aniline.
What is the SMILES notation for 4-chloro-3-nitro-N-(1-phenylpropyl)aniline?
The canonical SMILES for 4-chloro-3-nitro-N-(1-phenylpropyl)aniline is CCC(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-nitro-N-(1-phenylpropyl)aniline?
The InChIKey is GRGSOHBKSJTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-14(11-6-4-3-5-7-11)17-12-8-9-13(16)15(10-12)18(19)20/h3-10,14,17H,2H2,1H3.
What are the key properties of 4-chloro-3-nitro-N-(1-phenylpropyl)aniline?
4-chloro-3-nitro-N-(1-phenylpropyl)aniline has a molecular weight of 290.75 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(1-phenylpropyl)aniline is sourced from PubChem (CID 43719522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).