(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol

C16H20ClNO3 — CID 25363046

IUPAC(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol
SMILESC[C@H](OC[C@H](O)CNCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c1-12(13-4-6-14(17)7-5-13)21-11-15(19)9-18-10-16-3-2-8-20-16/h2-8,12,15,18-19H,9-11H2,1H3/t12-,15+/m0/s1
InChIKeyKLNOGOPYBVDDRJ-SWLSCSKDSA-N
MW309.79 g/mol
LogP3.16
Rot. Bonds8

About (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol

(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol (PubChem CID 25363046) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol
PubChem CID25363046
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol
SMILESC[C@H](OC[C@H](O)CNCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c1-12(13-4-6-14(17)7-5-13)21-11-15(19)9-18-10-16-3-2-8-20-16/h2-8,12,15,18-19H,9-11H2,1H3/t12-,15+/m0/s1
InChIKeyKLNOGOPYBVDDRJ-SWLSCSKDSA-N
XLogP3.16
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 4852521
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 110906839
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610
1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61024566
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112510911
(2R)-1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300568
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
(2R)-1-[3-(azepan-1-yl)propylamino]-3-[(1S)-1-(4-chlorophenyl)ethoxy]propan-2-ol
CID 7859092
1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol?
The IUPAC name of (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol (CID 25363046) is (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol is C[C@H](OC[C@H](O)CNCc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol?
The InChIKey is KLNOGOPYBVDDRJ-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-12(13-4-6-14(17)7-5-13)21-11-15(19)9-18-10-16-3-2-8-20-16/h2-8,12,15,18-19H,9-11H2,1H3/t12-,15+/m0/s1.
What are the key properties of (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol?
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol has a molecular weight of 309.79 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 25363046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).