2-[1-(2-butoxyethylamino)ethyl]phenol

C14H23NO2 — CID 61171435

IUPAC2-[1-(2-butoxyethylamino)ethyl]phenol
SMILESCCCCOCCNC(C)c1ccccc1O
InChIInChI=1S/C14H23NO2/c1-3-4-10-17-11-9-15-12(2)13-7-5-6-8-14(13)16/h5-8,12,15-16H,3-4,9-11H2,1-2H3
InChIKeyXDWRECRNTLSRCM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.86
Rot. Bonds8

About 2-[1-(2-butoxyethylamino)ethyl]phenol

2-[1-(2-butoxyethylamino)ethyl]phenol (PubChem CID 61171435) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[1-(2-butoxyethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2-butoxyethylamino)ethyl]phenol
PubChem CID61171435
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[1-(2-butoxyethylamino)ethyl]phenol
SMILESCCCCOCCNC(C)c1ccccc1O
InChIInChI=1S/C14H23NO2/c1-3-4-10-17-11-9-15-12(2)13-7-5-6-8-14(13)16/h5-8,12,15-16H,3-4,9-11H2,1-2H3
InChIKeyXDWRECRNTLSRCM-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 61169297
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine
CID 61169291
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
CID 81361060
N-(2-butoxyethyl)-1-pyridin-3-ylethanamine
CID 61171825
2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
CID 43194012
N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65197276

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-butoxyethylamino)ethyl]phenol?
The IUPAC name of 2-[1-(2-butoxyethylamino)ethyl]phenol (CID 61171435) is 2-[1-(2-butoxyethylamino)ethyl]phenol.
What is the SMILES notation for 2-[1-(2-butoxyethylamino)ethyl]phenol?
The canonical SMILES for 2-[1-(2-butoxyethylamino)ethyl]phenol is CCCCOCCNC(C)c1ccccc1O.
What is the InChIKey of 2-[1-(2-butoxyethylamino)ethyl]phenol?
The InChIKey is XDWRECRNTLSRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-10-17-11-9-15-12(2)13-7-5-6-8-14(13)16/h5-8,12,15-16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[1-(2-butoxyethylamino)ethyl]phenol?
2-[1-(2-butoxyethylamino)ethyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-butoxyethylamino)ethyl]phenol is sourced from PubChem (CID 61171435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).