3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol

C12H20N2O — CID 82946106

IUPAC3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
SMILESCC(CN(C)C)NCc1cccc(O)c1
InChIInChI=1S/C12H20N2O/c1-10(9-14(2)3)13-8-11-5-4-6-12(15)7-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyRUIVPSURTFUNBG-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.43
Rot. Bonds5

About 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol

3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol (PubChem CID 82946106) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
PubChem CID82946106
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
SMILESCC(CN(C)C)NCc1cccc(O)c1
InChIInChI=1S/C12H20N2O/c1-10(9-14(2)3)13-8-11-5-4-6-12(15)7-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyRUIVPSURTFUNBG-UHFFFAOYSA-N
XLogP1.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
CID 43181834
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine
CID 82925202
3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
2-N-[(3,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945359
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol
CID 125443275
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol?
The IUPAC name of 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol (CID 82946106) is 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol.
What is the SMILES notation for 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol?
The canonical SMILES for 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol is CC(CN(C)C)NCc1cccc(O)c1.
What is the InChIKey of 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol?
The InChIKey is RUIVPSURTFUNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(9-14(2)3)13-8-11-5-4-6-12(15)7-11/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol?
3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol has a molecular weight of 208.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol is sourced from PubChem (CID 82946106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).