(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol

C14H23NO3 — CID 40840939

IUPAC(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCC[C@@H](C)NC[C@@H](O)COc1ccccc1OC
InChIInChI=1S/C14H23NO3/c1-4-11(2)15-9-12(16)10-18-14-8-6-5-7-13(14)17-3/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyVXJQVAMMFVYRJF-VXGBXAGGSA-N
MW253.34 g/mol
LogP1.82
Rot. Bonds8

About (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol

(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 40840939) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID40840939
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCC[C@@H](C)NC[C@@H](O)COc1ccccc1OC
InChIInChI=1S/C14H23NO3/c1-4-11(2)15-9-12(16)10-18-14-8-6-5-7-13(14)17-3/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyVXJQVAMMFVYRJF-VXGBXAGGSA-N
XLogP1.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
CID 103914023
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol (CID 40840939) is (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol is CC[C@@H](C)NC[C@@H](O)COc1ccccc1OC.
What is the InChIKey of (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is VXJQVAMMFVYRJF-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-11(2)15-9-12(16)10-18-14-8-6-5-7-13(14)17-3/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 40840939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).