N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine

C18H22FNO — CID 62454308

IUPACN-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-14(2)12-20-13-18(15-6-4-3-5-7-15)21-17-10-8-16(19)9-11-17/h3-11,14,18,20H,12-13H2,1-2H3
InChIKeyQQBVHOKBCUEODX-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.19
Rot. Bonds7

About N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine

N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine (PubChem CID 62454308) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine
PubChem CID62454308
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-14(2)12-20-13-18(15-6-4-3-5-7-15)21-17-10-8-16(19)9-11-17/h3-11,14,18,20H,12-13H2,1-2H3
InChIKeyQQBVHOKBCUEODX-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
N-(2-phenoxy-2-phenylethyl)propan-1-amine
CID 62452576
2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
CID 55077407
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 55072970
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
CID 103285722
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine (CID 62454308) is N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine is CC(C)CNCC(Oc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine?
The InChIKey is QQBVHOKBCUEODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14(2)12-20-13-18(15-6-4-3-5-7-15)21-17-10-8-16(19)9-11-17/h3-11,14,18,20H,12-13H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine?
N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62454308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).