N-(3-fluoro-4-methylphenoxy)propan-2-amine

C10H14FNO — CID 170607982

IUPACN-(3-fluoro-4-methylphenoxy)propan-2-amine
SMILESCc1ccc(ONC(C)C)cc1F
InChIInChI=1S/C10H14FNO/c1-7(2)12-13-9-5-4-8(3)10(11)6-9/h4-7,12H,1-3H3
InChIKeyNPLANFOCXIMBGH-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.43
Rot. Bonds3

About N-(3-fluoro-4-methylphenoxy)propan-2-amine

N-(3-fluoro-4-methylphenoxy)propan-2-amine (PubChem CID 170607982) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenoxy)propan-2-amine
PubChem CID170607982
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-(3-fluoro-4-methylphenoxy)propan-2-amine
SMILESCc1ccc(ONC(C)C)cc1F
InChIInChI=1S/C10H14FNO/c1-7(2)12-13-9-5-4-8(3)10(11)6-9/h4-7,12H,1-3H3
InChIKeyNPLANFOCXIMBGH-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Aminobutyl)phenol
CID 9793924
4-(2-Aminoethyl)-2-fluorophenol
CID 193292
4-(3-Aminobutyl)phenol, (R)-
CID 22831505
N-[4-(trifluoromethyl)phenoxy]acetamide
CID 162546353
p-trifluoromethylphenoxy-N-methyl-propylamine
CID 129716509
(Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine
CID 135060564
N-(4-methylphenoxy)acetamide
CID 10654597
Dihydrobenzoxazepine
CID 21893792
4-[(2R)-2-(hydroxyamino)propyl]phenol
CID 91205660
4-(2-Aminoethyl)-3-fluorophenol
CID 13643616
3-phenyl-N-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 21645851
N-(2-fluorophenoxy)ethanamine
CID 22450577

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenoxy)propan-2-amine?
The IUPAC name of N-(3-fluoro-4-methylphenoxy)propan-2-amine (CID 170607982) is N-(3-fluoro-4-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenoxy)propan-2-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenoxy)propan-2-amine is Cc1ccc(ONC(C)C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenoxy)propan-2-amine?
The InChIKey is NPLANFOCXIMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(2)12-13-9-5-4-8(3)10(11)6-9/h4-7,12H,1-3H3.
What are the key properties of N-(3-fluoro-4-methylphenoxy)propan-2-amine?
N-(3-fluoro-4-methylphenoxy)propan-2-amine has a molecular weight of 183.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 170607982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).