2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol

C15H25NO2 — CID 114491574

IUPAC2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol
SMILESCCC(C)(O)COc1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-15(4,17)11-18-14-8-6-13(7-9-14)10-16-12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3
InChIKeyKGUHEGJLWIKEIT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.72
Rot. Bonds7

About 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol

2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol (PubChem CID 114491574) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol
PubChem CID114491574
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol
SMILESCCC(C)(O)COc1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-15(4,17)11-18-14-8-6-13(7-9-14)10-16-12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3
InChIKeyKGUHEGJLWIKEIT-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-3-[(propan-2-ylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114492224
methyl 2,2-dimethyl-3-[4-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 79630272
1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114491978
N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
CID 63966983
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
1-[4-(1-hydroxypropyl)phenoxy]-2-methylbutan-2-ol
CID 114494418
N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60878379
1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
CID 104930453
3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626545
3-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491976
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
2,3-dimethyl-1-[4-(propylaminomethyl)phenoxy]butan-2-ol
CID 114491573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol?
The IUPAC name of 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol (CID 114491574) is 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol is CCC(C)(O)COc1ccc(CNC(C)C)cc1.
What is the InChIKey of 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol?
The InChIKey is KGUHEGJLWIKEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(4,17)11-18-14-8-6-13(7-9-14)10-16-12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol?
2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol is sourced from PubChem (CID 114491574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).