2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol

C16H27NO2 — CID 83926807

IUPAC2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(CC(C)C(CN)CO)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)15-8-13(5-6-16(15)19-4)7-12(3)14(9-17)10-18/h5-6,8,11-12,14,18H,7,9-10,17H2,1-4H3
InChIKeyFWLCWYKEMIPYKI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.56
Rot. Bonds7

About 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol

2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol (PubChem CID 83926807) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
PubChem CID83926807
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(CC(C)C(CN)CO)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)15-8-13(5-6-16(15)19-4)7-12(3)14(9-17)10-18/h5-6,8,11-12,14,18H,7,9-10,17H2,1-4H3
InChIKeyFWLCWYKEMIPYKI-UHFFFAOYSA-N
XLogP2.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-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)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83926810
2-(aminomethyl)-4-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 83931978
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403
3-[(4-methoxy-3-propan-2-ylphenyl)methylamino]propan-1-ol
CID 94687238
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83926821
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol (CID 83926807) is 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol is COc1ccc(CC(C)C(CN)CO)cc1C(C)C.
What is the InChIKey of 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol?
The InChIKey is FWLCWYKEMIPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)15-8-13(5-6-16(15)19-4)7-12(3)14(9-17)10-18/h5-6,8,11-12,14,18H,7,9-10,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.56, 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-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83926807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).