3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol

C14H21NO2 — CID 103743628

IUPAC3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
SMILESCC1(CNCc2cccc(O)c2)CCOCC1
InChIInChI=1S/C14H21NO2/c1-14(5-7-17-8-6-14)11-15-10-12-3-2-4-13(16)9-12/h2-4,9,15-16H,5-8,10-11H2,1H3
InChIKeyCKPCPKWGNLJYGW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds4

About 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol

3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol (PubChem CID 103743628) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
PubChem CID103743628
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
SMILESCC1(CNCc2cccc(O)c2)CCOCC1
InChIInChI=1S/C14H21NO2/c1-14(5-7-17-8-6-14)11-15-10-12-3-2-4-13(16)9-12/h2-4,9,15-16H,5-8,10-11H2,1H3
InChIKeyCKPCPKWGNLJYGW-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724255
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
CID 114125954
N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine
CID 103743629
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
CID 28622087
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743600
N-[(4-methyloxan-4-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115686396
4-[[(3-hydroxyphenyl)methylamino]methyl]thian-4-ol
CID 111436641
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
3-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79352632
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol?
The IUPAC name of 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol (CID 103743628) is 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol is CC1(CNCc2cccc(O)c2)CCOCC1.
What is the InChIKey of 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol?
The InChIKey is CKPCPKWGNLJYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(5-7-17-8-6-14)11-15-10-12-3-2-4-13(16)9-12/h2-4,9,15-16H,5-8,10-11H2,1H3.
What are the key properties of 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol?
3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 103743628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).