4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol

C14H21NO2 — CID 78928927

IUPAC4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
SMILESCc1cccc(CNCC2(O)CCOCC2)c1
InChIInChI=1S/C14H21NO2/c1-12-3-2-4-13(9-12)10-15-11-14(16)5-7-17-8-6-14/h2-4,9,15-16H,5-8,10-11H2,1H3
InChIKeyOTXCQAQEEUQXEG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds4

About 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol

4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol (PubChem CID 78928927) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
PubChem CID78928927
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
SMILESCc1cccc(CNCC2(O)CCOCC2)c1
InChIInChI=1S/C14H21NO2/c1-12-3-2-4-13(9-12)10-15-11-14(16)5-7-17-8-6-14/h2-4,9,15-16H,5-8,10-11H2,1H3
InChIKeyOTXCQAQEEUQXEG-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
4-hydroxy-4-[[(3-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106499162
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 103645114
N'-hydroxy-3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]benzenecarboximidamide
CID 81130732
4-[[[3-(3-methoxypropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115069
2-[3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]phenoxy]acetonitrile
CID 81130666
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol (CID 78928927) is 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol is Cc1cccc(CNCC2(O)CCOCC2)c1.
What is the InChIKey of 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol?
The InChIKey is OTXCQAQEEUQXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-3-2-4-13(9-12)10-15-11-14(16)5-7-17-8-6-14/h2-4,9,15-16H,5-8,10-11H2,1H3.
What are the key properties of 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol?
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 78928927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).