1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine

C16H18FNO — CID 55134645

IUPAC1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine
SMILESCc1ccc(F)cc1C(N)CCOc1ccccc1
InChIInChI=1S/C16H18FNO/c1-12-7-8-13(17)11-15(12)16(18)9-10-19-14-5-3-2-4-6-14/h2-8,11,16H,9-10,18H2,1H3
InChIKeyUCNLUGIJYLKIBC-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.60
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine

1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine (PubChem CID 55134645) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine
PubChem CID55134645
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine
SMILESCc1ccc(F)cc1C(N)CCOc1ccccc1
InChIInChI=1S/C16H18FNO/c1-12-7-8-13(17)11-15(12)16(18)9-10-19-14-5-3-2-4-6-14/h2-8,11,16H,9-10,18H2,1H3
InChIKeyUCNLUGIJYLKIBC-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385
1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine
CID 106881236
4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
CID 54939816
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine
CID 105373609
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
CID 71046582
CID 71046582
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
CID 62802951

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine (CID 55134645) is 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine is Cc1ccc(F)cc1C(N)CCOc1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine?
The InChIKey is UCNLUGIJYLKIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-7-8-13(17)11-15(12)16(18)9-10-19-14-5-3-2-4-6-14/h2-8,11,16H,9-10,18H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine?
1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 55134645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).