(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine

C10H14FNO — CID 124510333

IUPAC(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
SMILESCOc1cc(F)cc(C[C@@H](C)N)c1
InChIInChI=1S/C10H14FNO/c1-7(12)3-8-4-9(11)6-10(5-8)13-2/h4-7H,3,12H2,1-2H3/t7-/m1/s1
InChIKeyLPNKGLAGKVGAPY-SSDOTTSWSA-N
MW183.23 g/mol
LogP1.72
Rot. Bonds3

About (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine

(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine (PubChem CID 124510333) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
PubChem CID124510333
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
SMILESCOc1cc(F)cc(C[C@@H](C)N)c1
InChIInChI=1S/C10H14FNO/c1-7(12)3-8-4-9(11)6-10(5-8)13-2/h4-7H,3,12H2,1-2H3/t7-/m1/s1
InChIKeyLPNKGLAGKVGAPY-SSDOTTSWSA-N
XLogP1.72
TPSA35.25 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117296829
1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117337696
1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
1-(3-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 79709615
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
(3-fluoro-5-methoxyphenyl)methanesulfonamide
CID 165443567
1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine
CID 114623669
1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine
CID 107051957
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine (CID 124510333) is (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine is COc1cc(F)cc(C[C@@H](C)N)c1.
What is the InChIKey of (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine?
The InChIKey is LPNKGLAGKVGAPY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(12)3-8-4-9(11)6-10(5-8)13-2/h4-7H,3,12H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine?
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine has a molecular weight of 183.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 124510333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).