N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine

C14H23NO3 — CID 62572887

IUPACN-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
SMILESCOCCNCCCCOc1cccc(OC)c1
InChIInChI=1S/C14H23NO3/c1-16-11-9-15-8-3-4-10-18-14-7-5-6-13(12-14)17-2/h5-7,12,15H,3-4,8-11H2,1-2H3
InChIKeyYMOUYHNXZUIFFU-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.09
Rot. Bonds10

About N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine

N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine (PubChem CID 62572887) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
PubChem CID62572887
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
SMILESCOCCNCCCCOc1cccc(OC)c1
InChIInChI=1S/C14H23NO3/c1-16-11-9-15-8-3-4-10-18-14-7-5-6-13(12-14)17-2/h5-7,12,15H,3-4,8-11H2,1-2H3
InChIKeyYMOUYHNXZUIFFU-UHFFFAOYSA-N
XLogP2.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435
3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599161
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
CID 62582854
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
4-(4-bromo-3-fluorophenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 65201584
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine (CID 62572887) is N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine is COCCNCCCCOc1cccc(OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine?
The InChIKey is YMOUYHNXZUIFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-16-11-9-15-8-3-4-10-18-14-7-5-6-13(12-14)17-2/h5-7,12,15H,3-4,8-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine?
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine is sourced from PubChem (CID 62572887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).