(1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine

C11H15ClN2O2 — CID 171206387

IUPAC(1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine
SMILESCCCC[C@@H](N)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN2O2/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14(15)16/h5-7,10H,2-4,13H2,1H3/t10-/m1/s1
InChIKeyGVAOHWORHOBDHJ-SNVBAGLBSA-N
MW242.71 g/mol
LogP3.44
Rot. Bonds5

About (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine

(1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine (PubChem CID 171206387) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine
PubChem CID171206387
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine
SMILESCCCC[C@@H](N)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN2O2/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14(15)16/h5-7,10H,2-4,13H2,1H3/t10-/m1/s1
InChIKeyGVAOHWORHOBDHJ-SNVBAGLBSA-N
XLogP3.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.44
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

(4S)-4-amino-4-(5-chloro-2-nitrophenyl)butan-1-ol
CID 171225999
(1S)-1-(5-chloro-2-nitrophenyl)pentane-1,5-diamine;hydrochloride
CID 171225953
(1R)-1-(5-chloro-2-nitrophenyl)pent-4-en-1-amine;hydrochloride
CID 171206412
(1R)-1-(5-chloro-2-nitrophenyl)-3-methylbut-3-en-1-amine
CID 171206413
(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)butan-2-ol
CID 171268543
3-[(1R)-1-aminobutyl]-4-nitrophenol
CID 171206438
2-(1-aminopentyl)-4-chlorophenol
CID 155888158
ethyl 2,3-dibromo-3-(5-chloro-2-nitrophenyl)propanoate
CID 172558148
(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride
CID 171268542
N,N-dibutyl-5-chloro-2-nitrobenzenesulfonamide
CID 7574217
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
2-(5-chloro-2-nitrophenyl)propan-1-ol
CID 10059144

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine?
The IUPAC name of (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine (CID 171206387) is (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine.
What is the SMILES notation for (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine?
The canonical SMILES for (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine is CCCC[C@@H](N)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine?
The InChIKey is GVAOHWORHOBDHJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14(15)16/h5-7,10H,2-4,13H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine?
(1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine has a molecular weight of 242.71 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine is sourced from PubChem (CID 171206387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).