(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine

C11H16FNO — CID 78960972

IUPAC(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCCF)cc1
InChIInChI=1S/C11H16FNO/c1-9(13)10-3-5-11(6-4-10)14-8-2-7-12/h3-6,9H,2,7-8,13H2,1H3/t9-/m1/s1
InChIKeyAWBZZHANCWIGNY-SECBINFHSA-N
MW197.25 g/mol
LogP2.44
Rot. Bonds5

About (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine

(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine (PubChem CID 78960972) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
PubChem CID78960972
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCCF)cc1
InChIInChI=1S/C11H16FNO/c1-9(13)10-3-5-11(6-4-10)14-8-2-7-12/h3-6,9H,2,7-8,13H2,1H3/t9-/m1/s1
InChIKeyAWBZZHANCWIGNY-SECBINFHSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 61491408
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
(1S)-1-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 55190084
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007
(1S)-1-(4-pent-3-ynoxyphenyl)ethanamine
CID 104805177
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
5-[4-[(1S)-1-aminoethyl]phenoxy]-2,2-dimethylpentanenitrile
CID 65256682

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine (CID 78960972) is (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(OCCCF)cc1.
What is the InChIKey of (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine?
The InChIKey is AWBZZHANCWIGNY-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FNO/c1-9(13)10-3-5-11(6-4-10)14-8-2-7-12/h3-6,9H,2,7-8,13H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine?
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine has a molecular weight of 197.25 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine is sourced from PubChem (CID 78960972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).