1-[4-(aminomethyl)phenyl]-2-methoxyethanol

C10H15NO2 — CID 43531479

IUPAC1-[4-(aminomethyl)phenyl]-2-methoxyethanol
SMILESCOCC(O)c1ccc(CN)cc1
InChIInChI=1S/C10H15NO2/c1-13-7-10(12)9-4-2-8(6-11)3-5-9/h2-5,10,12H,6-7,11H2,1H3
InChIKeyNIMITYUIKDHHFU-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.83
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-methoxyethanol

1-[4-(aminomethyl)phenyl]-2-methoxyethanol (PubChem CID 43531479) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-methoxyethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-methoxyethanol
PubChem CID43531479
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-[4-(aminomethyl)phenyl]-2-methoxyethanol
SMILESCOCC(O)c1ccc(CN)cc1
InChIInChI=1S/C10H15NO2/c1-13-7-10(12)9-4-2-8(6-11)3-5-9/h2-5,10,12H,6-7,11H2,1H3
InChIKeyNIMITYUIKDHHFU-UHFFFAOYSA-N
XLogP0.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)phenyl]-2-methoxyethanol 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-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol
CID 106665153
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
CID 43531596
1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
CID 43531485
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
benzene;2-methoxy-1-phenylethanol
CID 174622919
N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide
CID 82175838
1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone
CID 173353549
1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol
CID 123594321
1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
CID 61229094
[4-(1,3-dimethoxypropyl)phenyl]methanamine
CID 172700562
(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500392

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-methoxyethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-methoxyethanol (CID 43531479) is 1-[4-(aminomethyl)phenyl]-2-methoxyethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-methoxyethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-methoxyethanol is COCC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-methoxyethanol?
The InChIKey is NIMITYUIKDHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-7-10(12)9-4-2-8(6-11)3-5-9/h2-5,10,12H,6-7,11H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-methoxyethanol?
1-[4-(aminomethyl)phenyl]-2-methoxyethanol has a molecular weight of 181.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-methoxyethanol is sourced from PubChem (CID 43531479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).