(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol

C16H17ClN2O3 — CID 175021813

IUPAC(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
SMILESCC(NC[C@H](O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17ClN2O3/c1-11(12-5-7-15(8-6-12)19(21)22)18-10-16(20)13-3-2-4-14(17)9-13/h2-9,11,16,18,20H,10H2,1H3/t11?,16-/m0/s1
InChIKeyPVDKVBMWOSYODR-NBFOKTCDSA-N
MW320.78 g/mol
LogP3.63
Rot. Bonds6

About (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol

(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol (PubChem CID 175021813) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
PubChem CID175021813
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
SMILESCC(NC[C@H](O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17ClN2O3/c1-11(12-5-7-15(8-6-12)19(21)22)18-10-16(20)13-3-2-4-14(17)9-13/h2-9,11,16,18,20H,10H2,1H3/t11?,16-/m0/s1
InChIKeyPVDKVBMWOSYODR-NBFOKTCDSA-N
XLogP3.63
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.63
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

(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 62537905
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403
1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol
CID 78956198
2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
CID 114153568
N-[(2-chloro-5-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 43462312
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 115345078
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
CID 115345080
(2S,4R)-4-methyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pentan-2-ol
CID 129378741

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol (CID 175021813) is (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol is CC(NC[C@H](O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol?
The InChIKey is PVDKVBMWOSYODR-NBFOKTCDSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-11(12-5-7-15(8-6-12)19(21)22)18-10-16(20)13-3-2-4-14(17)9-13/h2-9,11,16,18,20H,10H2,1H3/t11?,16-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol has a molecular weight of 320.78 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol is sourced from PubChem (CID 175021813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).