(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol

C11H16N2O3 — CID 40727263

IUPAC(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3/c1-2-10(8-14)12-7-9-3-5-11(6-4-9)13(15)16/h3-6,10,12,14H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyULCNJCXXUJYDEK-SNVBAGLBSA-N
MW224.26 g/mol
LogP1.46
Rot. Bonds6

About (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol

(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol (PubChem CID 40727263) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
PubChem CID40727263
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3/c1-2-10(8-14)12-7-9-3-5-11(6-4-9)13(15)16/h3-6,10,12,14H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyULCNJCXXUJYDEK-SNVBAGLBSA-N
XLogP1.46
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
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-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60875982
2,6-dimethyl-N-[(4-nitrophenyl)methyl]heptan-4-amine
CID 63450301
(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane
CID 160747845
(2R)-2-[[4-(methylamino)-3-nitrophenyl]methylamino]butan-1-ol
CID 95567452
(2S)-3-methyl-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 28833402
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
2-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 2979936
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
CID 43400092
2-[[4-(dimethylamino)phenyl]methylamino]butan-1-ol;hydrochloride
CID 2988960
N-(1-hydroxybutan-2-yl)-4-(4-nitrophenyl)benzenesulfonamide
CID 110454194

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol (CID 40727263) is (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol?
The InChIKey is ULCNJCXXUJYDEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-10(8-14)12-7-9-3-5-11(6-4-9)13(15)16/h3-6,10,12,14H,2,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol?
(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol has a molecular weight of 224.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 40727263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).