N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine

C14H23NO2 — CID 55072812

IUPACN-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine
SMILESCCNCC(CC)OCc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-13(10-15-5-2)17-11-12-7-6-8-14(9-12)16-3/h6-9,13,15H,4-5,10-11H2,1-3H3
InChIKeyATQASQWORCVCNR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds8

About N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine

N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine (PubChem CID 55072812) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine
PubChem CID55072812
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine
SMILESCCNCC(CC)OCc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-13(10-15-5-2)17-11-12-7-6-8-14(9-12)16-3/h6-9,13,15H,4-5,10-11H2,1-3H3
InChIKeyATQASQWORCVCNR-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
CID 83046234
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
(2R)-N-[3-(ethylaminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 124570178
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
CID 103228176
N-[[3-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62453859
1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 62411763
2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
CID 62449737
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
1-methoxy-3-propylbenzene
CID 14270128
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 106087679

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine (CID 55072812) is N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine is CCNCC(CC)OCc1cccc(OC)c1.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine?
The InChIKey is ATQASQWORCVCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-13(10-15-5-2)17-11-12-7-6-8-14(9-12)16-3/h6-9,13,15H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine?
N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine is sourced from PubChem (CID 55072812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).