4-[3-(2-methoxyethyl)phenyl]butan-1-amine

C13H21NO — CID 117115617

IUPAC4-[3-(2-methoxyethyl)phenyl]butan-1-amine
SMILESCOCCc1cccc(CCCCN)c1
InChIInChI=1S/C13H21NO/c1-15-10-8-13-7-4-6-12(11-13)5-2-3-9-14/h4,6-7,11H,2-3,5,8-10,14H2,1H3
InChIKeyKNEPJDQNLKTOJD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds7

About 4-[3-(2-methoxyethyl)phenyl]butan-1-amine

4-[3-(2-methoxyethyl)phenyl]butan-1-amine (PubChem CID 117115617) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)phenyl]butan-1-amine
PubChem CID117115617
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[3-(2-methoxyethyl)phenyl]butan-1-amine
SMILESCOCCc1cccc(CCCCN)c1
InChIInChI=1S/C13H21NO/c1-15-10-8-13-7-4-6-12(11-13)5-2-3-9-14/h4,6-7,11H,2-3,5,8-10,14H2,1H3
InChIKeyKNEPJDQNLKTOJD-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
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

4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
CID 117115621
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
1-(bromomethyl)-3-(3-methoxypropyl)benzene
CID 59382337
1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene
CID 167413999
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
4-(3-phenylphenyl)butan-1-amine
CID 117324209
5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566
3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
CID 42610605
3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
CID 143800069
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)phenyl]butan-1-amine?
The IUPAC name of 4-[3-(2-methoxyethyl)phenyl]butan-1-amine (CID 117115617) is 4-[3-(2-methoxyethyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[3-(2-methoxyethyl)phenyl]butan-1-amine?
The canonical SMILES for 4-[3-(2-methoxyethyl)phenyl]butan-1-amine is COCCc1cccc(CCCCN)c1.
What is the InChIKey of 4-[3-(2-methoxyethyl)phenyl]butan-1-amine?
The InChIKey is KNEPJDQNLKTOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-15-10-8-13-7-4-6-12(11-13)5-2-3-9-14/h4,6-7,11H,2-3,5,8-10,14H2,1H3.
What are the key properties of 4-[3-(2-methoxyethyl)phenyl]butan-1-amine?
4-[3-(2-methoxyethyl)phenyl]butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)phenyl]butan-1-amine is sourced from PubChem (CID 117115617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).