(1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol

C17H28FNO2 — CID 155920505

IUPAC(1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol
SMILESCCCC(CCC)COc1cc([C@H](O)CCN)ccc1F
InChIInChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-17-11-14(7-8-15(17)18)16(20)9-10-19/h7-8,11,13,16,20H,3-6,9-10,12,19H2,1-2H3/t16-/m1/s1
InChIKeyWDYVEMOTVIKKNU-MRXNPFEDSA-N
MW297.41 g/mol
LogP3.80
Rot. Bonds10

About (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol

(1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol (PubChem CID 155920505) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol
PubChem CID155920505
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name(1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol
SMILESCCCC(CCC)COc1cc([C@H](O)CCN)ccc1F
InChIInChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-17-11-14(7-8-15(17)18)16(20)9-10-19/h7-8,11,13,16,20H,3-6,9-10,12,19H2,1-2H3/t16-/m1/s1
InChIKeyWDYVEMOTVIKKNU-MRXNPFEDSA-N
XLogP3.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol (CID 155920505) is (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol is CCCC(CCC)COc1cc([C@H](O)CCN)ccc1F.
What is the InChIKey of (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol?
The InChIKey is WDYVEMOTVIKKNU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-17-11-14(7-8-15(17)18)16(20)9-10-19/h7-8,11,13,16,20H,3-6,9-10,12,19H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol?
(1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol has a molecular weight of 297.41 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-[4-fluoro-3-(2-propylpentoxy)phenyl]propan-1-ol is sourced from PubChem (CID 155920505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).