(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol

C19H25NO3 — CID 93161864

IUPAC(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(CN(C[C@@H](O)COCc2ccccc2)C2CC2)o1
InChIInChI=1S/C19H25NO3/c1-15-7-10-19(23-15)12-20(17-8-9-17)11-18(21)14-22-13-16-5-3-2-4-6-16/h2-7,10,17-18,21H,8-9,11-14H2,1H3/t18-/m1/s1
InChIKeyIQSVGBIGBOEZRH-GOSISDBHSA-N
MW315.41 g/mol
LogP3.13
Rot. Bonds9

About (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol

(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 93161864) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID93161864
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(CN(C[C@@H](O)COCc2ccccc2)C2CC2)o1
InChIInChI=1S/C19H25NO3/c1-15-7-10-19(23-15)12-20(17-8-9-17)11-18(21)14-22-13-16-5-3-2-4-6-16/h2-7,10,17-18,21H,8-9,11-14H2,1H3/t18-/m1/s1
InChIKeyIQSVGBIGBOEZRH-GOSISDBHSA-N
XLogP3.13
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099
(2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161874
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24713531
1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 107263830
(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161816
(2S)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163974
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3884188
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 24714141
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006888

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol (CID 93161864) is (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol is Cc1ccc(CN(C[C@@H](O)COCc2ccccc2)C2CC2)o1.
What is the InChIKey of (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is IQSVGBIGBOEZRH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25NO3/c1-15-7-10-19(23-15)12-20(17-8-9-17)11-18(21)14-22-13-16-5-3-2-4-6-16/h2-7,10,17-18,21H,8-9,11-14H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 315.41 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 93161864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).