4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol

C13H19NO3 — CID 117169658

IUPAC4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
SMILESCC1(Cc2ccc(O)cc2)OCC(CCN)O1
InChIInChI=1S/C13H19NO3/c1-13(16-9-12(17-13)6-7-14)8-10-2-4-11(15)5-3-10/h2-5,12,15H,6-9,14H2,1H3
InChIKeyZOVQRWUKFHGZPN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.42
Rot. Bonds4

About 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol

4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol (PubChem CID 117169658) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
PubChem CID117169658
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
SMILESCC1(Cc2ccc(O)cc2)OCC(CCN)O1
InChIInChI=1S/C13H19NO3/c1-13(16-9-12(17-13)6-7-14)8-10-2-4-11(15)5-3-10/h2-5,12,15H,6-9,14H2,1H3
InChIKeyZOVQRWUKFHGZPN-UHFFFAOYSA-N
XLogP1.42
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminoethyl-5-(4''-hydoxyphenethyl)tetrahydrofuran
CID 11658719
4-[(4,5-Dimethyl-1,3-dioxolan-2-yl)methyl]phenol
CID 123199966
4'-(4,5-Dimethyl-1,3-dioxolan-2-yl)methyl-phenol
CID 139585257
8-Methoxytyramine
CID 69027298
4-(4-Hydroxyphenyl)-2-butanone propyleneglycol
CID 538770
4-[5-Amino-2-fluoro-2-(methoxymethyl)pentyl]phenol
CID 103392633
4-[4-(Aminomethyl)-1,3-dioxolan-2-yl]-2-fluorophenol
CID 107693894
4-(2-Amino-1-hydroxyethyl)phenol;ethyl hydrogen carbonate
CID 11241982
4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]phenol
CID 11830638
4-[(2-Ethyl-1,3-dioxolan-2-yl)methyl]phenol
CID 54284619
4-Hydroxyphenylpropan-2-one ethylene ketal
CID 56630437
4-((S)-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-phenol
CID 66899808

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol?
The IUPAC name of 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol (CID 117169658) is 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol is CC1(Cc2ccc(O)cc2)OCC(CCN)O1.
What is the InChIKey of 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol?
The InChIKey is ZOVQRWUKFHGZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(16-9-12(17-13)6-7-14)8-10-2-4-11(15)5-3-10/h2-5,12,15H,6-9,14H2,1H3.
What are the key properties of 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol?
4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol has a molecular weight of 237.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol is sourced from PubChem (CID 117169658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).