4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol

C16H25NO2 — CID 82981409

IUPAC4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol
SMILESCCC(c1ccc(O)cc1)N(C)CC1CCOCC1
InChIInChI=1S/C16H25NO2/c1-3-16(14-4-6-15(18)7-5-14)17(2)12-13-8-10-19-11-9-13/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyUPSSHBVNAYHNCO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.20
Rot. Bonds5

About 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol

4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol (PubChem CID 82981409) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol
PubChem CID82981409
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol
SMILESCCC(c1ccc(O)cc1)N(C)CC1CCOCC1
InChIInChI=1S/C16H25NO2/c1-3-16(14-4-6-15(18)7-5-14)17(2)12-13-8-10-19-11-9-13/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyUPSSHBVNAYHNCO-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63726473
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707251
1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
CID 55227594
1-(4-fluorophenyl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63726256
1-(3-bromo-4-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 83231113
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-1-phenylbutane-1,2-diamine
CID 63727526
4-[1-[butan-2-yl(methyl)amino]propyl]phenol
CID 82977219
4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
CID 82977173
1-(4-fluorophenyl)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63727122
1-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-2-amine
CID 104555183
1-(2,3-dimethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725960

Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol?
The IUPAC name of 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol (CID 82981409) is 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol.
What is the SMILES notation for 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol?
The canonical SMILES for 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol is CCC(c1ccc(O)cc1)N(C)CC1CCOCC1.
What is the InChIKey of 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol?
The InChIKey is UPSSHBVNAYHNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-16(14-4-6-15(18)7-5-14)17(2)12-13-8-10-19-11-9-13/h4-7,13,16,18H,3,8-12H2,1-2H3.
What are the key properties of 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol?
4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl(oxan-4-ylmethyl)amino]propyl]phenol is sourced from PubChem (CID 82981409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).