1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol

C14H22N2O2 — CID 82732204

IUPAC1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol
SMILESCN(CC(O)c1ccc(CN)cc1)C1CCOC1
InChIInChI=1S/C14H22N2O2/c1-16(13-6-7-18-10-13)9-14(17)12-4-2-11(8-15)3-5-12/h2-5,13-14,17H,6-10,15H2,1H3
InChIKeyCMMUFOJHUYZWTJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.90
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol

1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol (PubChem CID 82732204) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol
PubChem CID82732204
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol
SMILESCN(CC(O)c1ccc(CN)cc1)C1CCOC1
InChIInChI=1S/C14H22N2O2/c1-16(13-6-7-18-10-13)9-14(17)12-4-2-11(8-15)3-5-12/h2-5,13-14,17H,6-10,15H2,1H3
InChIKeyCMMUFOJHUYZWTJ-UHFFFAOYSA-N
XLogP0.90
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 62264706
1-[4-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanol
CID 43648580
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
CID 55002007
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
1-(2-ethoxyphenyl)-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82748181
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 82735589
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
CID 107878596
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457
1-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748731

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol (CID 82732204) is 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol is CN(CC(O)c1ccc(CN)cc1)C1CCOC1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol?
The InChIKey is CMMUFOJHUYZWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(13-6-7-18-10-13)9-14(17)12-4-2-11(8-15)3-5-12/h2-5,13-14,17H,6-10,15H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol?
1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol has a molecular weight of 250.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[methyl(oxolan-3-yl)amino]ethanol is sourced from PubChem (CID 82732204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).