4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol

C16H27NO2 — CID 115217660

IUPAC4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol
SMILESCOc1ccc(CN(C)CCCCO)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)15-11-14(7-8-16(15)19-4)12-17(3)9-5-6-10-18/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3
InChIKeyKHRBATHHYZTVFH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.02
Rot. Bonds8

About 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol

4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol (PubChem CID 115217660) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol
PubChem CID115217660
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol
SMILESCOc1ccc(CN(C)CCCCO)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)15-11-14(7-8-16(15)19-4)12-17(3)9-5-6-10-18/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3
InChIKeyKHRBATHHYZTVFH-UHFFFAOYSA-N
XLogP3.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-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

3-chloro-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methylpropan-1-amine
CID 115215710
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115136999
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166361
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
3-[(4-methoxy-3-propan-2-ylphenyl)methylamino]propan-1-ol
CID 94687238
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-1-ol
CID 115217645
3-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215695
4-[(3,4-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 39366066
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
CID 51080580

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol?
The IUPAC name of 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol (CID 115217660) is 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol.
What is the SMILES notation for 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol?
The canonical SMILES for 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol is COc1ccc(CN(C)CCCCO)cc1C(C)C.
What is the InChIKey of 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol?
The InChIKey is KHRBATHHYZTVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)15-11-14(7-8-16(15)19-4)12-17(3)9-5-6-10-18/h7-8,11,13,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol?
4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol is sourced from PubChem (CID 115217660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).