1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine

C17H20FNO — CID 105143129

IUPAC1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OCCC(N)c2cc(C)ccc2F)c1
InChIInChI=1S/C17H20FNO/c1-12-4-3-5-14(10-12)20-9-8-17(19)15-11-13(2)6-7-16(15)18/h3-7,10-11,17H,8-9,19H2,1-2H3
InChIKeyZMGNTEBSDYBFFD-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine

1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine (PubChem CID 105143129) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
PubChem CID105143129
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OCCC(N)c2cc(C)ccc2F)c1
InChIInChI=1S/C17H20FNO/c1-12-4-3-5-14(10-12)20-9-8-17(19)15-11-13(2)6-7-16(15)18/h3-7,10-11,17H,8-9,19H2,1-2H3
InChIKeyZMGNTEBSDYBFFD-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine
CID 105181868
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105099504
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
1-(2-fluoro-5-propoxyphenyl)butan-1-amine
CID 83988799
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
4-ethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168458
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
CID 16794540
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745
1-(2,5-dimethylphenyl)-N-methyl-3-(3-methylphenoxy)propan-1-amine
CID 105120506
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine (CID 105143129) is 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine is Cc1cccc(OCCC(N)c2cc(C)ccc2F)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine?
The InChIKey is ZMGNTEBSDYBFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-4-3-5-14(10-12)20-9-8-17(19)15-11-13(2)6-7-16(15)18/h3-7,10-11,17H,8-9,19H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine?
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine is sourced from PubChem (CID 105143129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).