(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine

C16H18FNO — CID 104894054

IUPAC(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(F)ccc1COc1cccc([C@H](C)N)c1
InChIInChI=1S/C16H18FNO/c1-11-8-15(17)7-6-14(11)10-19-16-5-3-4-13(9-16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1
InChIKeyBCLQCVYQTZGOOA-LBPRGKRZSA-N
MW259.32 g/mol
LogP3.73
Rot. Bonds4

About (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine

(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 104894054) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID104894054
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(F)ccc1COc1cccc([C@H](C)N)c1
InChIInChI=1S/C16H18FNO/c1-11-8-15(17)7-6-14(11)10-19-16-5-3-4-13(9-16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1
InChIKeyBCLQCVYQTZGOOA-LBPRGKRZSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894045
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345722
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235
(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316
(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367201
1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345723
1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051297
4-[[3-(1-aminoethyl)phenoxy]methyl]-3-fluorobenzonitrile
CID 60879391
[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid
CID 114346391
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanol
CID 104894080
(1S)-1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66363116
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66365450

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine (CID 104894054) is (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine is Cc1cc(F)ccc1COc1cccc([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is BCLQCVYQTZGOOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-8-15(17)7-6-14(11)10-19-16-5-3-4-13(9-16)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 104894054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).