N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine

C10H15NO — CID 130067534

IUPACN-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
SMILESCc1ccc([C@H](C)NO)c(C)c1
InChIInChI=1S/C10H15NO/c1-7-4-5-10(8(2)6-7)9(3)11-12/h4-6,9,11-12H,1-3H3/t9-/m0/s1
InChIKeyBJRBIRIYAFRJBX-VIFPVBQESA-N
MW165.24 g/mol
LogP2.34
Rot. Bonds2

About N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine (PubChem CID 130067534) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
PubChem CID130067534
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
SMILESCc1ccc([C@H](C)NO)c(C)c1
InChIInChI=1S/C10H15NO/c1-7-4-5-10(8(2)6-7)9(3)11-12/h4-6,9,11-12H,1-3H3/t9-/m0/s1
InChIKeyBJRBIRIYAFRJBX-VIFPVBQESA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(2,4-dimethylphenyl)ethyl]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

N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
CID 81339355
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358185
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716665
N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine (CID 130067534) is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine is Cc1ccc([C@H](C)NO)c(C)c1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine?
The InChIKey is BJRBIRIYAFRJBX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO/c1-7-4-5-10(8(2)6-7)9(3)11-12/h4-6,9,11-12H,1-3H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine?
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine has a molecular weight of 165.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 130067534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).