4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol

C11H18N2O — CID 104556834

IUPAC4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol
SMILESCC(CN)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C11H18N2O/c1-9(7-12)13(2)8-10-3-5-11(14)6-4-10/h3-6,9,14H,7-8,12H2,1-2H3
InChIKeySKRXCQOXORTGTN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.17
Rot. Bonds4

About 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol

4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol (PubChem CID 104556834) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol
PubChem CID104556834
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol
SMILESCC(CN)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C11H18N2O/c1-9(7-12)13(2)8-10-3-5-11(14)6-4-10/h3-6,9,14H,7-8,12H2,1-2H3
InChIKeySKRXCQOXORTGTN-UHFFFAOYSA-N
XLogP1.17
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyltyramine
CID 9727
(+-)-Pholedrine
CID 4655
4-Hydroxybenzylamine
CID 97472
4-((Dimethylamino)methyl)phenol
CID 32895
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-[(Butylamino)methyl]phenol
CID 487839
4-[(2S)-2-(methylamino)propyl]phenol
CID 158815
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 13904714
4-((Methylamino)methyl)phenol
CID 13104924
(2-(Dimethylamino)ethyl)((4-methoxyphenyl)methyl)amine
CID 3154217
Phenol, 2,4,6-tris[[[3-(dimethylamino)propyl]amino]methyl]-
CID 59915543
4-[2-(3-Phenyl-propylamino)-propyl]-phenol
CID 192481

Frequently Asked Questions

What is the IUPAC name of 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol?
The IUPAC name of 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol (CID 104556834) is 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol?
The canonical SMILES for 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol is CC(CN)N(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol?
The InChIKey is SKRXCQOXORTGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(7-12)13(2)8-10-3-5-11(14)6-4-10/h3-6,9,14H,7-8,12H2,1-2H3.
What are the key properties of 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol?
4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol is sourced from PubChem (CID 104556834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).