2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol

C14H23NO2 — CID 83932188

IUPAC2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol
SMILESCCOc1ccc(CC(C)C(CN)CO)cc1
InChIInChI=1S/C14H23NO2/c1-3-17-14-6-4-12(5-7-14)8-11(2)13(9-15)10-16/h4-7,11,13,16H,3,8-10,15H2,1-2H3
InChIKeyRFABOACACMCOPG-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.83
Rot. Bonds7

About 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol

2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol (PubChem CID 83932188) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol
PubChem CID83932188
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol
SMILESCCOc1ccc(CC(C)C(CN)CO)cc1
InChIInChI=1S/C14H23NO2/c1-3-17-14-6-4-12(5-7-14)8-11(2)13(9-15)10-16/h4-7,11,13,16H,3,8-10,15H2,1-2H3
InChIKeyRFABOACACMCOPG-UHFFFAOYSA-N
XLogP1.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol 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

2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol
CID 83935827
2-(aminomethyl)-4-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 83931978
2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
CID 83926807
4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 112507798
(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide
CID 29061664
1-(2-bromopropyl)-4-ethoxybenzene
CID 82254885
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
2-(aminomethyl)-4-(4-ethoxy-2,3,6-trimethylphenyl)-3-methylbutan-1-ol
CID 83939433
4-(4-ethoxyphenyl)-3-methylbutanethioamide
CID 83932215
1-(3-bromo-2-methylpropyl)-4-ethoxybenzene
CID 64671005

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol (CID 83932188) is 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol is CCOc1ccc(CC(C)C(CN)CO)cc1.
What is the InChIKey of 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is RFABOACACMCOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-17-14-6-4-12(5-7-14)8-11(2)13(9-15)10-16/h4-7,11,13,16H,3,8-10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83932188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).