(2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol

C24H29NO3 — CID 7872448

IUPAC(2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCc1ccc(CN(C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)o1
InChIInChI=1S/C24H29NO3/c1-18-9-7-8-12-23(18)24(20-10-5-4-6-11-20)27-17-21(26)15-25(3)16-22-14-13-19(2)28-22/h4-14,21,24,26H,15-17H2,1-3H3/t21-,24+/m0/s1
InChIKeyALFNPRBMXJTCFF-XUZZJYLKSA-N
MW379.50 g/mol
LogP4.50
Rot. Bonds9

About (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol

(2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol (PubChem CID 7872448) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
PubChem CID7872448
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name(2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCc1ccc(CN(C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)o1
InChIInChI=1S/C24H29NO3/c1-18-9-7-8-12-23(18)24(20-10-5-4-6-11-20)27-17-21(26)15-25(3)16-22-14-13-19(2)28-22/h4-14,21,24,26H,15-17H2,1-3H3/t21-,24+/m0/s1
InChIKeyALFNPRBMXJTCFF-XUZZJYLKSA-N
XLogP4.50
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616
2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60501602
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
CID 62625066
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpropanethioamide
CID 64535725
(2S)-1-(butylamino)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 2124057
1-benzhydryloxy-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propan-2-ol
CID 42909807
2-[(2S)-2-hydroxy-3-[(R)-(2-methylphenyl)-phenylmethoxy]propyl]isoindole-1,3-dione
CID 31563617
(2R)-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-[(S)-(4-methylphenyl)-phenylmethoxy]propan-2-ol
CID 7988330
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 9322549
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
(2S)-1-[[(2R)-butan-2-yl]-[(5-methylfuran-2-yl)methyl]amino]-3-phenoxypropan-2-ol
CID 93161850

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The IUPAC name of (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol (CID 7872448) is (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The canonical SMILES for (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol is Cc1ccc(CN(C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)o1.
What is the InChIKey of (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
The InChIKey is ALFNPRBMXJTCFF-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H29NO3/c1-18-9-7-8-12-23(18)24(20-10-5-4-6-11-20)27-17-21(26)15-25(3)16-22-14-13-19(2)28-22/h4-14,21,24,26H,15-17H2,1-3H3/t21-,24+/m0/s1.
What are the key properties of (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol?
(2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol has a molecular weight of 379.50 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol is sourced from PubChem (CID 7872448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).