1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol

C15H25NO3 — CID 43531596

IUPAC1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
SMILESCCCCOCCOCC(O)c1ccc(CN)cc1
InChIInChI=1S/C15H25NO3/c1-2-3-8-18-9-10-19-12-15(17)14-6-4-13(11-16)5-7-14/h4-7,15,17H,2-3,8-12,16H2,1H3
InChIKeyLCCDVTKTIQSUEB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.01
Rot. Bonds10

About 1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol

1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol (PubChem CID 43531596) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
PubChem CID43531596
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
SMILESCCCCOCCOCC(O)c1ccc(CN)cc1
InChIInChI=1S/C15H25NO3/c1-2-3-8-18-9-10-19-12-15(17)14-6-4-13(11-16)5-7-14/h4-7,15,17H,2-3,8-12,16H2,1H3
InChIKeyLCCDVTKTIQSUEB-UHFFFAOYSA-N
XLogP2.01
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
1-[4-(aminomethyl)phenyl]-2-(3-methoxy-3-methylbutoxy)ethanol
CID 106665153
3-butoxy-1-(4-ethylphenyl)propan-1-ol
CID 115001888
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
CID 101292365
1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
CID 63685305
2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
CID 43127522
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine
CID 105349646

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol (CID 43531596) is 1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol is CCCCOCCOCC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol?
The InChIKey is LCCDVTKTIQSUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-3-8-18-9-10-19-12-15(17)14-6-4-13(11-16)5-7-14/h4-7,15,17H,2-3,8-12,16H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol?
1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol has a molecular weight of 267.37 g/mol, XLogP of 2.01, 10 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-(2-butoxyethoxy)ethanol is sourced from PubChem (CID 43531596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).