propane;3-[(propan-2-ylamino)methyl]phenol

C13H23NO — CID 143074534

IUPACpropane;3-[(propan-2-ylamino)methyl]phenol
SMILESCC(C)NCc1cccc(O)c1.CCC
InChIInChI=1S/C10H15NO.C3H8/c1-8(2)11-7-9-4-3-5-10(12)6-9;1-3-2/h3-6,8,11-12H,7H2,1-2H3;3H2,1-2H3
InChIKeyYWQNXVKFHOANQB-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.31
Rot. Bonds3

About propane;3-[(propan-2-ylamino)methyl]phenol

propane;3-[(propan-2-ylamino)methyl]phenol (PubChem CID 143074534) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is propane;3-[(propan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Namepropane;3-[(propan-2-ylamino)methyl]phenol
PubChem CID143074534
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namepropane;3-[(propan-2-ylamino)methyl]phenol
SMILESCC(C)NCc1cccc(O)c1.CCC
InChIInChI=1S/C10H15NO.C3H8/c1-8(2)11-7-9-4-3-5-10(12)6-9;1-3-2/h3-6,8,11-12H,7H2,1-2H3;3H2,1-2H3
InChIKeyYWQNXVKFHOANQB-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107687781
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
CID 82946106
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
3-[(2,2-dimethylpentan-3-ylamino)methyl]phenol;hydrochloride
CID 115616088
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615288

Frequently Asked Questions

What is the IUPAC name of propane;3-[(propan-2-ylamino)methyl]phenol?
The IUPAC name of propane;3-[(propan-2-ylamino)methyl]phenol (CID 143074534) is propane;3-[(propan-2-ylamino)methyl]phenol.
What is the SMILES notation for propane;3-[(propan-2-ylamino)methyl]phenol?
The canonical SMILES for propane;3-[(propan-2-ylamino)methyl]phenol is CC(C)NCc1cccc(O)c1.CCC.
What is the InChIKey of propane;3-[(propan-2-ylamino)methyl]phenol?
The InChIKey is YWQNXVKFHOANQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C3H8/c1-8(2)11-7-9-4-3-5-10(12)6-9;1-3-2/h3-6,8,11-12H,7H2,1-2H3;3H2,1-2H3.
What are the key properties of propane;3-[(propan-2-ylamino)methyl]phenol?
propane;3-[(propan-2-ylamino)methyl]phenol has a molecular weight of 209.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;3-[(propan-2-ylamino)methyl]phenol is sourced from PubChem (CID 143074534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).