N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine

C10H14FNO — CID 130150239

IUPACN-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
SMILESCCC(NO)c1ccc(C)c(F)c1
InChIInChI=1S/C10H14FNO/c1-3-10(12-13)8-5-4-7(2)9(11)6-8/h4-6,10,12-13H,3H2,1-2H3
InChIKeyTVXMUDNNKIHLDB-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.56
Rot. Bonds3

About N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine

N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine (PubChem CID 130150239) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
PubChem CID130150239
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
SMILESCCC(NO)c1ccc(C)c(F)c1
InChIInChI=1S/C10H14FNO/c1-3-10(12-13)8-5-4-7(2)9(11)6-8/h4-6,10,12-13H,3H2,1-2H3
InChIKeyTVXMUDNNKIHLDB-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
CID 97051735
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
CID 65236584
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine (CID 130150239) is N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine is CCC(NO)c1ccc(C)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine?
The InChIKey is TVXMUDNNKIHLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-10(12-13)8-5-4-7(2)9(11)6-8/h4-6,10,12-13H,3H2,1-2H3.
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine?
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine has a molecular weight of 183.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine is sourced from PubChem (CID 130150239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).