(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol

C22H25NO3 — CID 2502652

IUPAC(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)CN(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H25NO3/c1-18-8-5-6-12-22(18)26-17-20(24)15-23(16-21-11-7-13-25-21)14-19-9-3-2-4-10-19/h2-13,20,24H,14-17H2,1H3/t20-/m1/s1
InChIKeyUTGOQXNLNILSOL-HXUWFJFHSA-N
MW351.45 g/mol
LogP4.03
Rot. Bonds9

About (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol

(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 2502652) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID2502652
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)CN(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H25NO3/c1-18-8-5-6-12-22(18)26-17-20(24)15-23(16-21-11-7-13-25-21)14-19-9-3-2-4-10-19/h2-13,20,24H,14-17H2,1H3/t20-/m1/s1
InChIKeyUTGOQXNLNILSOL-HXUWFJFHSA-N
XLogP4.03
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164563
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
(2S)-1-[benzyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164463
1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007957
(2S)-1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164915
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713252
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007827
(2R)-1-[furan-2-ylmethyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93178462
1-[benzyl(furan-2-ylmethyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55346175

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 2502652) is (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is UTGOQXNLNILSOL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25NO3/c1-18-8-5-6-12-22(18)26-17-20(24)15-23(16-21-11-7-13-25-21)14-19-9-3-2-4-10-19/h2-13,20,24H,14-17H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 351.45 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 2502652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).