(2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol

C14H23NO2 — CID 2235231

IUPAC(2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccccc1OC(C)C
InChIInChI=1S/C14H23NO2/c1-4-13(10-16)15-9-12-7-5-6-8-14(12)17-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3/t13-/m0/s1
InChIKeyOHWFJVSKCHVELD-ZDUSSCGKSA-N
MW237.34 g/mol
LogP2.33
Rot. Bonds7

About (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol

(2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol (PubChem CID 2235231) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
PubChem CID2235231
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccccc1OC(C)C
InChIInChI=1S/C14H23NO2/c1-4-13(10-16)15-9-12-7-5-6-8-14(12)17-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3/t13-/m0/s1
InChIKeyOHWFJVSKCHVELD-ZDUSSCGKSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol (CID 2235231) is (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1ccccc1OC(C)C.
What is the InChIKey of (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The InChIKey is OHWFJVSKCHVELD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-13(10-16)15-9-12-7-5-6-8-14(12)17-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
(2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 2235231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).