(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane

C14H24N2O3 — CID 160747845

IUPAC(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane
SMILESCCC.CCN[C@@H](CO)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3.C3H8/c1-2-12-10(8-14)7-9-3-5-11(6-4-9)13(15)16;1-3-2/h3-6,10,12,14H,2,7-8H2,1H3;3H2,1-2H3/t10-;/m1./s1
InChIKeyRWKODDAGWZBSGB-HNCPQSOCSA-N
MW268.36 g/mol
LogP2.52
Rot. Bonds6

About (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane

(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane (PubChem CID 160747845) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane.

Molecular Properties

Compound Name(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane
PubChem CID160747845
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane
SMILESCCC.CCN[C@@H](CO)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O3.C3H8/c1-2-12-10(8-14)7-9-3-5-11(6-4-9)13(15)16;1-3-2/h3-6,10,12,14H,2,7-8H2,1H3;3H2,1-2H3/t10-;/m1./s1
InChIKeyRWKODDAGWZBSGB-HNCPQSOCSA-N
XLogP2.52
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.52
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

N-ethyl-4-methyl-1-(4-nitrophenyl)hexan-2-amine
CID 114875092
(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
CID 40727263
4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine
CID 61065009
1-(4-nitrophenyl)-N-propylpentan-2-amine
CID 55138222
(1S,2S)-2-(ethylamino)-1-(4-nitrophenyl)propane-1,3-diol;propane
CID 159352873
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine
CID 107001864
N-ethyl-1-(4-methylthiophen-3-yl)-2-(4-nitrophenyl)ethanamine
CID 79802209
N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine
CID 61064478
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-nitrophenyl)oxamide
CID 41452846
N-ethyl-1-(4-nitrophenyl)sulfonylbutan-2-amine
CID 64646106
(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140
1-(5-bromothiophen-3-yl)-N-ethyl-2-(4-nitrophenyl)ethanamine
CID 107962847

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane?
The IUPAC name of (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane (CID 160747845) is (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane.
What is the SMILES notation for (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane?
The canonical SMILES for (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane is CCC.CCN[C@@H](CO)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane?
The InChIKey is RWKODDAGWZBSGB-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16N2O3.C3H8/c1-2-12-10(8-14)7-9-3-5-11(6-4-9)13(15)16;1-3-2/h3-6,10,12,14H,2,7-8H2,1H3;3H2,1-2H3/t10-;/m1./s1.
What are the key properties of (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane?
(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane has a molecular weight of 268.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane is sourced from PubChem (CID 160747845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).