1-[4-(2-methoxyethyl)phenyl]butan-1-amine

C13H21NO — CID 43198365

IUPAC1-[4-(2-methoxyethyl)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(CCOC)cc1
InChIInChI=1S/C13H21NO/c1-3-4-13(14)12-7-5-11(6-8-12)9-10-15-2/h5-8,13H,3-4,9-10,14H2,1-2H3
InChIKeyBOCFSGKXQNGDPZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds6

About 1-[4-(2-methoxyethyl)phenyl]butan-1-amine

1-[4-(2-methoxyethyl)phenyl]butan-1-amine (PubChem CID 43198365) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)phenyl]butan-1-amine
PubChem CID43198365
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[4-(2-methoxyethyl)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(CCOC)cc1
InChIInChI=1S/C13H21NO/c1-3-4-13(14)12-7-5-11(6-8-12)9-10-15-2/h5-8,13H,3-4,9-10,14H2,1-2H3
InChIKeyBOCFSGKXQNGDPZ-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methoxyethyl)phenyl]decan-1-amine
CID 65449887
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
1-(1-bromo-2-propylpentyl)-4-(2-methoxyethyl)benzene
CID 82988111
3-propoxy-1-(4-propylphenyl)propan-1-amine
CID 105144351
[4-(1-aminobutyl)phenyl]methanol
CID 55282733
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
2-(3,4-dimethylphenyl)-1-[4-(2-methoxyethyl)phenyl]ethanamine
CID 62553299
1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
CID 65154898
(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198335
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
1-(1-bromodecyl)-4-(2-methoxyethyl)benzene
CID 65428907
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)phenyl]butan-1-amine?
The IUPAC name of 1-[4-(2-methoxyethyl)phenyl]butan-1-amine (CID 43198365) is 1-[4-(2-methoxyethyl)phenyl]butan-1-amine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)phenyl]butan-1-amine?
The canonical SMILES for 1-[4-(2-methoxyethyl)phenyl]butan-1-amine is CCCC(N)c1ccc(CCOC)cc1.
What is the InChIKey of 1-[4-(2-methoxyethyl)phenyl]butan-1-amine?
The InChIKey is BOCFSGKXQNGDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-13(14)12-7-5-11(6-8-12)9-10-15-2/h5-8,13H,3-4,9-10,14H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethyl)phenyl]butan-1-amine?
1-[4-(2-methoxyethyl)phenyl]butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)phenyl]butan-1-amine is sourced from PubChem (CID 43198365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).