2-[(hexan-3-ylamino)methyl]-4-methoxyphenol

C14H23NO2 — CID 62118733

IUPAC2-[(hexan-3-ylamino)methyl]-4-methoxyphenol
SMILESCCCC(CC)NCc1cc(OC)ccc1O
InChIInChI=1S/C14H23NO2/c1-4-6-12(5-2)15-10-11-9-13(17-3)7-8-14(11)16/h7-9,12,15-16H,4-6,10H2,1-3H3
InChIKeyWDOOCAKYQWBDCL-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.07
Rot. Bonds7

About 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol

2-[(hexan-3-ylamino)methyl]-4-methoxyphenol (PubChem CID 62118733) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(hexan-3-ylamino)methyl]-4-methoxyphenol
PubChem CID62118733
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(hexan-3-ylamino)methyl]-4-methoxyphenol
SMILESCCCC(CC)NCc1cc(OC)ccc1O
InChIInChI=1S/C14H23NO2/c1-4-6-12(5-2)15-10-11-9-13(17-3)7-8-14(11)16/h7-9,12,15-16H,4-6,10H2,1-3H3
InChIKeyWDOOCAKYQWBDCL-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
2-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-4-methoxyphenol
CID 114210362
3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449137
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-4-methoxyphenol
CID 79254235
N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine
CID 106023506
2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol
CID 43751533
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 102876674
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202313

Frequently Asked Questions

What is the IUPAC name of 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol (CID 62118733) is 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol is CCCC(CC)NCc1cc(OC)ccc1O.
What is the InChIKey of 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol?
The InChIKey is WDOOCAKYQWBDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-6-12(5-2)15-10-11-9-13(17-3)7-8-14(11)16/h7-9,12,15-16H,4-6,10H2,1-3H3.
What are the key properties of 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol?
2-[(hexan-3-ylamino)methyl]-4-methoxyphenol has a molecular weight of 237.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hexan-3-ylamino)methyl]-4-methoxyphenol is sourced from PubChem (CID 62118733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).