2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol

C15H25NO3 — CID 106508588

IUPAC2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol
SMILESCOCCOCCC(CN)(CO)c1ccc(C)cc1
InChIInChI=1S/C15H25NO3/c1-13-3-5-14(6-4-13)15(11-16,12-17)7-8-19-10-9-18-2/h3-6,17H,7-12,16H2,1-2H3
InChIKeyYMCAAYKTFGEPGX-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.24
Rot. Bonds9

About 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol

2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol (PubChem CID 106508588) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol
PubChem CID106508588
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol
SMILESCOCCOCCC(CN)(CO)c1ccc(C)cc1
InChIInChI=1S/C15H25NO3/c1-13-3-5-14(6-4-13)15(11-16,12-17)7-8-19-10-9-18-2/h3-6,17H,7-12,16H2,1-2H3
InChIKeyYMCAAYKTFGEPGX-UHFFFAOYSA-N
XLogP1.24
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.24
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

2-(aminomethyl)-2-(4-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 106505936
2-(aminomethyl)-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 106508658
2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 106508573
2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
CID 106508544
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol
CID 106507132
2-(aminomethyl)-4-methoxy-2-(4-methylphenyl)pentan-1-ol
CID 106508650
2-(aminomethyl)-4-butoxy-2-(3-methylphenyl)butan-1-ol
CID 106507309
2-(aminomethyl)-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-ol
CID 106730839
1-[1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)butan-2-yl]-4-fluorobenzene
CID 79455898
2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol
CID 106505969
[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]benzene
CID 79447335

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol (CID 106508588) is 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol is COCCOCCC(CN)(CO)c1ccc(C)cc1.
What is the InChIKey of 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol?
The InChIKey is YMCAAYKTFGEPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13-3-5-14(6-4-13)15(11-16,12-17)7-8-19-10-9-18-2/h3-6,17H,7-12,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol?
2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 106508588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).