2-[ethyl(4-phenylbutyl)amino]ethanol

C14H23NO — CID 114334503

IUPAC2-[ethyl(4-phenylbutyl)amino]ethanol
SMILESCCN(CCO)CCCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-15(12-13-16)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,16H,2,6-7,10-13H2,1H3
InChIKeyAXAZLEDPKQDXHD-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.32
Rot. Bonds8

About 2-[ethyl(4-phenylbutyl)amino]ethanol

2-[ethyl(4-phenylbutyl)amino]ethanol (PubChem CID 114334503) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[ethyl(4-phenylbutyl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl(4-phenylbutyl)amino]ethanol
PubChem CID114334503
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[ethyl(4-phenylbutyl)amino]ethanol
SMILESCCN(CCO)CCCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-15(12-13-16)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,16H,2,6-7,10-13H2,1H3
InChIKeyAXAZLEDPKQDXHD-UHFFFAOYSA-N
XLogP2.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(5-phenylpentyl)amino]ethanol
CID 18933224
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N,N-diethyl-14-phenyltetradecan-1-amine;N,N-dimethyl-14-phenyltetradecan-1-amine;dihydrate
CID 173448155
methyl 3-[ethyl(4-phenylbutyl)amino]propanoate
CID 114334479
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(4-phenylbutyl)amino]ethanol?
The IUPAC name of 2-[ethyl(4-phenylbutyl)amino]ethanol (CID 114334503) is 2-[ethyl(4-phenylbutyl)amino]ethanol.
What is the SMILES notation for 2-[ethyl(4-phenylbutyl)amino]ethanol?
The canonical SMILES for 2-[ethyl(4-phenylbutyl)amino]ethanol is CCN(CCO)CCCCc1ccccc1.
What is the InChIKey of 2-[ethyl(4-phenylbutyl)amino]ethanol?
The InChIKey is AXAZLEDPKQDXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-15(12-13-16)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,16H,2,6-7,10-13H2,1H3.
What are the key properties of 2-[ethyl(4-phenylbutyl)amino]ethanol?
2-[ethyl(4-phenylbutyl)amino]ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(4-phenylbutyl)amino]ethanol is sourced from PubChem (CID 114334503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).