3-[(1-hydroxypentan-3-ylamino)methyl]phenol

C12H19NO2 — CID 111449151

IUPAC3-[(1-hydroxypentan-3-ylamino)methyl]phenol
SMILESCCC(CCO)NCc1cccc(O)c1
InChIInChI=1S/C12H19NO2/c1-2-11(6-7-14)13-9-10-4-3-5-12(15)8-10/h3-5,8,11,13-15H,2,6-7,9H2,1H3
InChIKeySNYAVGYERDJXIG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.64
Rot. Bonds6

About 3-[(1-hydroxypentan-3-ylamino)methyl]phenol

3-[(1-hydroxypentan-3-ylamino)methyl]phenol (PubChem CID 111449151) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(1-hydroxypentan-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(1-hydroxypentan-3-ylamino)methyl]phenol
PubChem CID111449151
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[(1-hydroxypentan-3-ylamino)methyl]phenol
SMILESCCC(CCO)NCc1cccc(O)c1
InChIInChI=1S/C12H19NO2/c1-2-11(6-7-14)13-9-10-4-3-5-12(15)8-10/h3-5,8,11,13-15H,2,6-7,9H2,1H3
InChIKeySNYAVGYERDJXIG-UHFFFAOYSA-N
XLogP1.64
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(octan-3-ylamino)methyl]phenol
CID 82364591
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
3-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 115644712
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243
3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol
CID 115897848
3-[(2,2-dimethylpentan-3-ylamino)methyl]phenol;hydrochloride
CID 115616088
4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
CID 113243238
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxypentan-3-ylamino)methyl]phenol?
The IUPAC name of 3-[(1-hydroxypentan-3-ylamino)methyl]phenol (CID 111449151) is 3-[(1-hydroxypentan-3-ylamino)methyl]phenol.
What is the SMILES notation for 3-[(1-hydroxypentan-3-ylamino)methyl]phenol?
The canonical SMILES for 3-[(1-hydroxypentan-3-ylamino)methyl]phenol is CCC(CCO)NCc1cccc(O)c1.
What is the InChIKey of 3-[(1-hydroxypentan-3-ylamino)methyl]phenol?
The InChIKey is SNYAVGYERDJXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-11(6-7-14)13-9-10-4-3-5-12(15)8-10/h3-5,8,11,13-15H,2,6-7,9H2,1H3.
What are the key properties of 3-[(1-hydroxypentan-3-ylamino)methyl]phenol?
3-[(1-hydroxypentan-3-ylamino)methyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxypentan-3-ylamino)methyl]phenol is sourced from PubChem (CID 111449151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).