(2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

C19H25NO3 — CID 93161874

IUPAC(2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccc(CN(C[C@H](O)COc2ccccc2C)C2CC2)o1
InChIInChI=1S/C19H25NO3/c1-14-5-3-4-6-19(14)22-13-17(21)11-20(16-8-9-16)12-18-10-7-15(2)23-18/h3-7,10,16-17,21H,8-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyHNODHSDUPJSMNL-KRWDZBQOSA-N
MW315.41 g/mol
LogP3.30
Rot. Bonds8

About (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

(2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 93161874) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID93161874
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccc(CN(C[C@H](O)COc2ccccc2C)C2CC2)o1
InChIInChI=1S/C19H25NO3/c1-14-5-3-4-6-19(14)22-13-17(21)11-20(16-8-9-16)12-18-10-7-15(2)23-18/h3-7,10,16-17,21H,8-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyHNODHSDUPJSMNL-KRWDZBQOSA-N
XLogP3.30
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163790
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007609
(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161864
(2S)-1-[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 129419545
(2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161955
2-[[cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]phenol
CID 7872383
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 42794853
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93147147
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93147149
(2R)-1-[cyclopropyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93116154
1-[cyclopropyl-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 42843044
1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 112840259

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (CID 93161874) is (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccc(CN(C[C@H](O)COc2ccccc2C)C2CC2)o1.
What is the InChIKey of (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is HNODHSDUPJSMNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14-5-3-4-6-19(14)22-13-17(21)11-20(16-8-9-16)12-18-10-7-15(2)23-18/h3-7,10,16-17,21H,8-9,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
(2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 315.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 93161874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).