(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol

C14H23NO4 — CID 40726834

IUPAC(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H23NO4/c1-5-11(9-16)15-8-10-6-13(18-3)14(19-4)7-12(10)17-2/h6-7,11,15-16H,5,8-9H2,1-4H3/t11-/m1/s1
InChIKeyHGCNCRLZWOETBZ-LLVKDONJSA-N
MW269.34 g/mol
LogP1.57
Rot. Bonds8

About (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol

(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol (PubChem CID 40726834) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
PubChem CID40726834
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H23NO4/c1-5-11(9-16)15-8-10-6-13(18-3)14(19-4)7-12(10)17-2/h6-7,11,15-16H,5,8-9H2,1-4H3/t11-/m1/s1
InChIKeyHGCNCRLZWOETBZ-LLVKDONJSA-N
XLogP1.57
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 51675513
2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 115644564
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103701021
(2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 51989422
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 28724580
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61247141
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236
3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449137

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol (CID 40726834) is (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol?
The InChIKey is HGCNCRLZWOETBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-11(9-16)15-8-10-6-13(18-3)14(19-4)7-12(10)17-2/h6-7,11,15-16H,5,8-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol?
(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 40726834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).