2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol

C14H22N2O2 — CID 79603547

IUPAC2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
SMILESCC(N)c1ccc(N(C)CC2CCCO2)cc1O
InChIInChI=1S/C14H22N2O2/c1-10(15)13-6-5-11(8-14(13)17)16(2)9-12-4-3-7-18-12/h5-6,8,10,12,17H,3-4,7,9,15H2,1-2H3
InChIKeyISHWJPKVZMSNJF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.03
Rot. Bonds4

About 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol

2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol (PubChem CID 79603547) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
PubChem CID79603547
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
SMILESCC(N)c1ccc(N(C)CC2CCCO2)cc1O
InChIInChI=1S/C14H22N2O2/c1-10(15)13-6-5-11(8-14(13)17)16(2)9-12-4-3-7-18-12/h5-6,8,10,12,17H,3-4,7,9,15H2,1-2H3
InChIKeyISHWJPKVZMSNJF-UHFFFAOYSA-N
XLogP2.03
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 82972442
4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002804
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
4-[[4-(1-aminoethyl)-3-hydroxy-N-methylanilino]methyl]oxan-4-ol
CID 114950022
2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 63672016
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 82971512
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
4-bromo-2-[1-[methyl(oxolan-2-ylmethyl)amino]ethyl]phenol
CID 82979140
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 113295571
1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone
CID 104528515

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol?
The IUPAC name of 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol (CID 79603547) is 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol is CC(N)c1ccc(N(C)CC2CCCO2)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol?
The InChIKey is ISHWJPKVZMSNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(15)13-6-5-11(8-14(13)17)16(2)9-12-4-3-7-18-12/h5-6,8,10,12,17H,3-4,7,9,15H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol?
2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol has a molecular weight of 250.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol is sourced from PubChem (CID 79603547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).