1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine

C11H14FNO — CID 130562859

IUPAC1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
SMILESCC(N)c1ccc(OC2CC2)c(F)c1
InChIInChI=1S/C11H14FNO/c1-7(13)8-2-5-11(10(12)6-8)14-9-3-4-9/h2,5-7,9H,3-4,13H2,1H3
InChIKeyDZJNZBQPANDZKT-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine

1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine (PubChem CID 130562859) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
PubChem CID130562859
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
SMILESCC(N)c1ccc(OC2CC2)c(F)c1
InChIInChI=1S/C11H14FNO/c1-7(13)8-2-5-11(10(12)6-8)14-9-3-4-9/h2,5-7,9H,3-4,13H2,1H3
InChIKeyDZJNZBQPANDZKT-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
CID 64729201
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
CID 155346993
(1S)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
CID 78937921
(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
CID 63369654
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937764

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine (CID 130562859) is 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine is CC(N)c1ccc(OC2CC2)c(F)c1.
What is the InChIKey of 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine?
The InChIKey is DZJNZBQPANDZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(13)8-2-5-11(10(12)6-8)14-9-3-4-9/h2,5-7,9H,3-4,13H2,1H3.
What are the key properties of 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine?
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine has a molecular weight of 195.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine is sourced from PubChem (CID 130562859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).