N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine

C15H25NO2 — CID 114333296

IUPACN-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
SMILESCOCCOCCNCCCCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-17-13-14-18-12-11-16-10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyINXIQXAFXZOVIR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.26
Rot. Bonds11

About N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine

N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine (PubChem CID 114333296) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
PubChem CID114333296
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
SMILESCOCCOCCNCCCCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-17-13-14-18-12-11-16-10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyINXIQXAFXZOVIR-UHFFFAOYSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
CID 114184074
4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine
CID 114264696
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
3-chloro-4-methoxy-N-(4-phenylbutyl)butan-1-amine
CID 106242639
1-methoxy-4-(4-phenylbutylamino)butan-2-ol
CID 106246401
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
3-(3-phenylpropoxy)-N-propylpropan-1-amine
CID 62485607
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine (CID 114333296) is N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine is COCCOCCNCCCCc1ccccc1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine?
The InChIKey is INXIQXAFXZOVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-17-13-14-18-12-11-16-10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine?
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine is sourced from PubChem (CID 114333296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).