(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine

C17H20FNO2 — CID 171213002

IUPAC(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
SMILESCOc1ccc([C@H](N)CCF)cc1OCc1ccccc1
InChIInChI=1S/C17H20FNO2/c1-20-16-8-7-14(15(19)9-10-18)11-17(16)21-12-13-5-3-2-4-6-13/h2-8,11,15H,9-10,12,19H2,1H3/t15-/m1/s1
InChIKeyIUNJTFSZEIXEMQ-OAHLLOKOSA-N
MW289.35 g/mol
LogP3.63
Rot. Bonds7

About (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine

(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine (PubChem CID 171213002) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
PubChem CID171213002
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
SMILESCOc1ccc([C@H](N)CCF)cc1OCc1ccccc1
InChIInChI=1S/C17H20FNO2/c1-20-16-8-7-14(15(19)9-10-18)11-17(16)21-12-13-5-3-2-4-6-13/h2-8,11,15H,9-10,12,19H2,1H3/t15-/m1/s1
InChIKeyIUNJTFSZEIXEMQ-OAHLLOKOSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171212979
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
(1R)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214534
(1S)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171234164
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 171213027

Frequently Asked Questions

What is the IUPAC name of (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine?
The IUPAC name of (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine (CID 171213002) is (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine is COc1ccc([C@H](N)CCF)cc1OCc1ccccc1.
What is the InChIKey of (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine?
The InChIKey is IUNJTFSZEIXEMQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-20-16-8-7-14(15(19)9-10-18)11-17(16)21-12-13-5-3-2-4-6-13/h2-8,11,15H,9-10,12,19H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine?
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine is sourced from PubChem (CID 171213002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).