(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol

C15H18ClNO3 — CID 41300610

IUPAC(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESCc1cc(OC[C@@H](O)CNCc2ccco2)ccc1Cl
InChIInChI=1S/C15H18ClNO3/c1-11-7-13(4-5-15(11)16)20-10-12(18)8-17-9-14-3-2-6-19-14/h2-7,12,17-18H,8-10H2,1H3/t12-/m0/s1
InChIKeyOESMPHAWTODMIG-LBPRGKRZSA-N
MW295.77 g/mol
LogP2.77
Rot. Bonds7

About (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol

(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol (PubChem CID 41300610) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
PubChem CID41300610
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESCc1cc(OC[C@@H](O)CNCc2ccco2)ccc1Cl
InChIInChI=1S/C15H18ClNO3/c1-11-7-13(4-5-15(11)16)20-10-12(18)8-17-9-14-3-2-6-19-14/h2-7,12,17-18H,8-10H2,1H3/t12-/m0/s1
InChIKeyOESMPHAWTODMIG-LBPRGKRZSA-N
XLogP2.77
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-methylphenoxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 62523170
(2R)-1-(furan-2-ylmethylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 7223566
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 5045919
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(4-chloro-3-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633671
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633949
1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 110906839
3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
CID 60901515
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol (CID 41300610) is (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol is Cc1cc(OC[C@@H](O)CNCc2ccco2)ccc1Cl.
What is the InChIKey of (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
The InChIKey is OESMPHAWTODMIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-11-7-13(4-5-15(11)16)20-10-12(18)8-17-9-14-3-2-6-19-14/h2-7,12,17-18H,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol has a molecular weight of 295.77 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 41300610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).