2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol

C16H27NO2 — CID 79360041

IUPAC2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
SMILESCC(C)CNCc1ccc(OCCC(C)(C)O)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)11-17-12-14-5-7-15(8-6-14)19-10-9-16(3,4)18/h5-8,13,17-18H,9-12H2,1-4H3
InChIKeyUCPAVJYBERPYMM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.97
Rot. Bonds8

About 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol

2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol (PubChem CID 79360041) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
PubChem CID79360041
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
SMILESCC(C)CNCc1ccc(OCCC(C)(C)O)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)11-17-12-14-5-7-15(8-6-14)19-10-9-16(3,4)18/h5-8,13,17-18H,9-12H2,1-4H3
InChIKeyUCPAVJYBERPYMM-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
3-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491976
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 106205797
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063229
3-[4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol (CID 79360041) is 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol is CC(C)CNCc1ccc(OCCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol?
The InChIKey is UCPAVJYBERPYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)11-17-12-14-5-7-15(8-6-14)19-10-9-16(3,4)18/h5-8,13,17-18H,9-12H2,1-4H3.
What are the key properties of 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol?
2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol is sourced from PubChem (CID 79360041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).