1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one

C14H21N3O2 — CID 28967044

IUPAC1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
SMILESCc1cc(CN)cc(C)c1OCCN1CCNC1=O
InChIInChI=1S/C14H21N3O2/c1-10-7-12(9-15)8-11(2)13(10)19-6-5-17-4-3-16-14(17)18/h7-8H,3-6,9,15H2,1-2H3,(H,16,18)
InChIKeyNGRXOVYMDVJZFQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.17
Rot. Bonds5

About 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one

1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one (PubChem CID 28967044) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
PubChem CID28967044
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
SMILESCc1cc(CN)cc(C)c1OCCN1CCNC1=O
InChIInChI=1S/C14H21N3O2/c1-10-7-12(9-15)8-11(2)13(10)19-6-5-17-4-3-16-14(17)18/h7-8H,3-6,9,15H2,1-2H3,(H,16,18)
InChIKeyNGRXOVYMDVJZFQ-UHFFFAOYSA-N
XLogP1.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-Methoxyphenyl)methyl]imidazolidin-2-one
CID 21749706
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 45800228
N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide
CID 47172285
3-[(4-Ethoxy-3-methylphenyl)methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 75379183
7-(Pyrrolidin-1-ylmethyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
CID 86820604
7-[(Diethylamino)methyl]-N-(3-ethoxypropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
CID 91912128
N-Cyclopentyl-7-[(diethylamino)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
CID 91912129
N-(2-methylpropyl)-7-(morpholin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 91924315
N-Ethyl-7-[(morpholin-4-YL)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
CID 91924316
7-[(diethylamino)methyl]-N,N-diethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
CID 91924323
7-(2-{[(1-Ethylpyrrolidin-2-YL)methyl]carbamoyl}ethyl)-N-(propan-2-YL)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
CID 124074397
7-[(Diethylamino)methyl]-N-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
CID 124079209

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one (CID 28967044) is 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one is Cc1cc(CN)cc(C)c1OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one?
The InChIKey is NGRXOVYMDVJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-7-12(9-15)8-11(2)13(10)19-6-5-17-4-3-16-14(17)18/h7-8H,3-6,9,15H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one?
1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 28967044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).