(2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol

C19H27NO4 — CID 93164184

IUPAC(2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccccc1CN(Cc1ccco1)C[C@H](O)COC(C)C
InChIInChI=1S/C19H27NO4/c1-15(2)24-14-17(21)12-20(13-18-8-6-10-23-18)11-16-7-4-5-9-19(16)22-3/h4-10,15,17,21H,11-14H2,1-3H3/t17-/m0/s1
InChIKeyVNEDRWYABUADGP-KRWDZBQOSA-N
MW333.43 g/mol
LogP3.08
Rot. Bonds10

About (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol

(2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 93164184) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID93164184
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccccc1CN(Cc1ccco1)C[C@H](O)COC(C)C
InChIInChI=1S/C19H27NO4/c1-15(2)24-14-17(21)12-20(13-18-8-6-10-23-18)11-16-7-4-5-9-19(16)22-3/h4-10,15,17,21H,11-14H2,1-3H3/t17-/m0/s1
InChIKeyVNEDRWYABUADGP-KRWDZBQOSA-N
XLogP3.08
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 46007813
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93160878
1-[(2-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-propan-2-yloxypropan-2-ol
CID 42836968
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164559
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164563
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577
(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93164298
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161532
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713651
(2S)-1-[(2,3-dimethoxyphenyl)methyl-propylamino]-3-propan-2-yloxypropan-2-ol
CID 93161613
1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46006854
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161589

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol (CID 93164184) is (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol is COc1ccccc1CN(Cc1ccco1)C[C@H](O)COC(C)C.
What is the InChIKey of (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is VNEDRWYABUADGP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27NO4/c1-15(2)24-14-17(21)12-20(13-18-8-6-10-23-18)11-16-7-4-5-9-19(16)22-3/h4-10,15,17,21H,11-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
(2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 333.43 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 93164184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).