1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol

C15H25NO3 — CID 106665153

IUPAC1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol
SMILESCOC(C)(C)CCOCC(O)c1ccc(CN)cc1
InChIInChI=1S/C15H25NO3/c1-15(2,18-3)8-9-19-11-14(17)13-6-4-12(10-16)5-7-13/h4-7,14,17H,8-11,16H2,1-3H3
InChIKeyAURYQDMTLICOFJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.01
Rot. Bonds8

About 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol

1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol (PubChem CID 106665153) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol
PubChem CID106665153
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol
SMILESCOC(C)(C)CCOCC(O)c1ccc(CN)cc1
InChIInChI=1S/C15H25NO3/c1-15(2,18-3)8-9-19-11-14(17)13-6-4-12(10-16)5-7-13/h4-7,14,17H,8-11,16H2,1-3H3
InChIKeyAURYQDMTLICOFJ-UHFFFAOYSA-N
XLogP2.01
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-2-(3-methoxy-3-methylbutoxy)ethanol
CID 106666611
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
CID 43531596
(3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate
CID 106666335
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine
CID 106665334
[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine
CID 106665154
1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
CID 43531485
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol (CID 106665153) is 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol is COC(C)(C)CCOCC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol?
The InChIKey is AURYQDMTLICOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,18-3)8-9-19-11-14(17)13-6-4-12(10-16)5-7-13/h4-7,14,17H,8-11,16H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol?
1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol has a molecular weight of 267.37 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol is sourced from PubChem (CID 106665153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).