(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine

C16H18FNO — CID 107658799

IUPAC(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Oc1cccc(C)c1F
InChIInChI=1S/C16H18FNO/c1-3-13(18)12-8-4-5-9-14(12)19-15-10-6-7-11(2)16(15)17/h4-10,13H,3,18H2,1-2H3/t13-/m1/s1
InChIKeyJCJWKUZNXUNSAX-CYBMUJFWSA-N
MW259.32 g/mol
LogP4.34
Rot. Bonds4

About (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine

(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine (PubChem CID 107658799) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
PubChem CID107658799
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Oc1cccc(C)c1F
InChIInChI=1S/C16H18FNO/c1-3-13(18)12-8-4-5-9-14(12)19-15-10-6-7-11(2)16(15)17/h4-10,13H,3,18H2,1-2H3/t13-/m1/s1
InChIKeyJCJWKUZNXUNSAX-CYBMUJFWSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
(1R)-1-[2-(2-fluoro-5-methylphenoxy)phenyl]propan-1-amine
CID 103959407
1-[2-(3-methyl-2-nitrophenoxy)phenyl]propan-1-amine
CID 115995653
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
CID 107661732
(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
CID 103959280
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
(1R)-1-[2-(5-bromo-2,3-difluorophenoxy)phenyl]propan-1-amine
CID 107099969
1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine
CID 115995509
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-amine
CID 115995513

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine (CID 107658799) is (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1Oc1cccc(C)c1F.
What is the InChIKey of (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine?
The InChIKey is JCJWKUZNXUNSAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-13(18)12-8-4-5-9-14(12)19-15-10-6-7-11(2)16(15)17/h4-10,13H,3,18H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine?
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 107658799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).