2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol

C17H29NO3 — CID 103780342

IUPAC2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol
SMILESCCCCC(CCC)NCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C17H29NO3/c1-5-7-9-14(8-6-2)18-12-13-10-15(20-3)17(19)16(11-13)21-4/h10-11,14,18-19H,5-9,12H2,1-4H3
InChIKeyORXCKNQLSXXBAD-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.86
Rot. Bonds10

About 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol

2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol (PubChem CID 103780342) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol
PubChem CID103780342
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol
SMILESCCCCC(CCC)NCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C17H29NO3/c1-5-7-9-14(8-6-2)18-12-13-10-15(20-3)17(19)16(11-13)21-4/h10-11,14,18-19H,5-9,12H2,1-4H3
InChIKeyORXCKNQLSXXBAD-UHFFFAOYSA-N
XLogP3.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol
CID 106023126
N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine
CID 106023567
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]pentanenitrile
CID 62646050
N-[(3,5-difluorophenyl)methyl]octan-4-amine
CID 106023055
2,6-dimethoxy-4-pentylphenol
CID 22625510
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]pentanenitrile
CID 62646746
N-[(6-methoxy-2-pyridinyl)methyl]octan-4-amine
CID 103781524
N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine
CID 106023506
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
N-(naphthalen-2-ylmethyl)octan-4-amine
CID 106023636

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol (CID 103780342) is 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol is CCCCC(CCC)NCc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol?
The InChIKey is ORXCKNQLSXXBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-7-9-14(8-6-2)18-12-13-10-15(20-3)17(19)16(11-13)21-4/h10-11,14,18-19H,5-9,12H2,1-4H3.
What are the key properties of 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol?
2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol has a molecular weight of 295.42 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol is sourced from PubChem (CID 103780342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).