(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol

C15H25NO2 — CID 79254170

IUPAC(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
SMILESCC(C)Oc1ccccc1CN[C@H](CO)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)14(10-17)16-9-13-7-5-6-8-15(13)18-12(3)4/h5-8,11-12,14,16-17H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyWPYVOOIWEURELK-CQSZACIVSA-N
MW251.37 g/mol
LogP2.58
Rot. Bonds7

About (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol

(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol (PubChem CID 79254170) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
PubChem CID79254170
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
SMILESCC(C)Oc1ccccc1CN[C@H](CO)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)14(10-17)16-9-13-7-5-6-8-15(13)18-12(3)4/h5-8,11-12,14,16-17H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyWPYVOOIWEURELK-CQSZACIVSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
2-[(2-fluoro-3-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 104791915
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 176995355
N,N-dimethyl-2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43778094
N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine
CID 115633108
2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 103859618

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol (CID 79254170) is (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol is CC(C)Oc1ccccc1CN[C@H](CO)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The InChIKey is WPYVOOIWEURELK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)14(10-17)16-9-13-7-5-6-8-15(13)18-12(3)4/h5-8,11-12,14,16-17H,9-10H2,1-4H3/t14-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 79254170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).