(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine

C10H14FNO — CID 80699771

IUPAC(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCF)cc1
InChIInChI=1S/C10H14FNO/c1-8(12)9-2-4-10(5-3-9)13-7-6-11/h2-5,8H,6-7,12H2,1H3/t8-/m0/s1
InChIKeyGHDMZIRLVGKWIC-QMMMGPOBSA-N
MW183.23 g/mol
LogP2.05
Rot. Bonds4

About (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine

(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine (PubChem CID 80699771) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
PubChem CID80699771
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCF)cc1
InChIInChI=1S/C10H14FNO/c1-8(12)9-2-4-10(5-3-9)13-7-6-11/h2-5,8H,6-7,12H2,1H3/t8-/m0/s1
InChIKeyGHDMZIRLVGKWIC-QMMMGPOBSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
(1S)-1-(4-pent-3-ynoxyphenyl)ethanamine
CID 104805177
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 61491408
(1S)-1-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 55190084
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine (CID 80699771) is (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine is C[C@H](N)c1ccc(OCCF)cc1.
What is the InChIKey of (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine?
The InChIKey is GHDMZIRLVGKWIC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8(12)9-2-4-10(5-3-9)13-7-6-11/h2-5,8H,6-7,12H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine?
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine has a molecular weight of 183.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 80699771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).