4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol

C17H27NO3 — CID 111106413

IUPAC4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
SMILESCC(C)COc1ccc(CNCC2(O)CCOCC2)cc1
InChIInChI=1S/C17H27NO3/c1-14(2)12-21-16-5-3-15(4-6-16)11-18-13-17(19)7-9-20-10-8-17/h3-6,14,18-19H,7-13H2,1-2H3
InChIKeyJRMVURSTMZDWQW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.35
Rot. Bonds7

About 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol

4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol (PubChem CID 111106413) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
PubChem CID111106413
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
SMILESCC(C)COc1ccc(CNCC2(O)CCOCC2)cc1
InChIInChI=1S/C17H27NO3/c1-14(2)12-21-16-5-3-15(4-6-16)11-18-13-17(19)7-9-20-10-8-17/h3-6,14,18-19H,7-13H2,1-2H3
InChIKeyJRMVURSTMZDWQW-UHFFFAOYSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 111466689
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
2-[4-[[(4-hydroxyoxan-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103257030
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
CID 81131042
3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100739
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
4-[[(3-butoxy-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 119114989
4-(aminomethyl)-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]oxane-4-carboxamide;hydrochloride
CID 120931729
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
CID 39389632

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol (CID 111106413) is 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol is CC(C)COc1ccc(CNCC2(O)CCOCC2)cc1.
What is the InChIKey of 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol?
The InChIKey is JRMVURSTMZDWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-14(2)12-21-16-5-3-15(4-6-16)11-18-13-17(19)7-9-20-10-8-17/h3-6,14,18-19H,7-13H2,1-2H3.
What are the key properties of 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol?
4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol has a molecular weight of 293.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 111106413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).