N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine

C9H10Cl3NO — CID 164724189

IUPACN-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine
SMILESC[C@H](Cc1c(Cl)cc(Cl)cc1Cl)NO
InChIInChI=1S/C9H10Cl3NO/c1-5(13-14)2-7-8(11)3-6(10)4-9(7)12/h3-5,13-14H,2H2,1H3/t5-/m1/s1
InChIKeyVSUSEOFAQFRBAL-RXMQYKEDSA-N
MW254.54 g/mol
LogP3.56
Rot. Bonds3

About N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine

N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine (PubChem CID 164724189) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine
PubChem CID164724189
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC NameN-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine
SMILESC[C@H](Cc1c(Cl)cc(Cl)cc1Cl)NO
InChIInChI=1S/C9H10Cl3NO/c1-5(13-14)2-7-8(11)3-6(10)4-9(7)12/h3-5,13-14H,2H2,1H3/t5-/m1/s1
InChIKeyVSUSEOFAQFRBAL-RXMQYKEDSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 129032601
1,3,5-trichloro-2-(2,3-dichloropropyl)benzene
CID 21327918
N-methoxy-4-(2,4,6-trichlorophenyl)butan-2-amine
CID 58443691
(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
CID 103846383
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60646938
methanesulfonic acid;2-(2,4,6-trichlorophenyl)ethanol
CID 88714036
2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol
CID 65332741
N-(2-methylpropyl)-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350340
2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
CID 82101529
2,4,6-trichloro-N-propan-2-ylaniline
CID 28992463
1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea
CID 97246462

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine?
The IUPAC name of N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine (CID 164724189) is N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine.
What is the SMILES notation for N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine?
The canonical SMILES for N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine is C[C@H](Cc1c(Cl)cc(Cl)cc1Cl)NO.
What is the InChIKey of N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine?
The InChIKey is VSUSEOFAQFRBAL-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10Cl3NO/c1-5(13-14)2-7-8(11)3-6(10)4-9(7)12/h3-5,13-14H,2H2,1H3/t5-/m1/s1.
What are the key properties of N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine?
N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine has a molecular weight of 254.54 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,4,6-trichlorophenyl)propan-2-yl]hydroxylamine is sourced from PubChem (CID 164724189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).