1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine

C16H27NO2 — CID 61483273

IUPAC1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
SMILESCCCCOCCOc1ccccc1C(CC)NC
InChIInChI=1S/C16H27NO2/c1-4-6-11-18-12-13-19-16-10-8-7-9-14(16)15(5-2)17-3/h7-10,15,17H,4-6,11-13H2,1-3H3
InChIKeyFJWMMFNQRHWMTN-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds10

About 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine

1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine (PubChem CID 61483273) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
PubChem CID61483273
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
SMILESCCCCOCCOc1ccccc1C(CC)NC
InChIInChI=1S/C16H27NO2/c1-4-6-11-18-12-13-19-16-10-8-7-9-14(16)15(5-2)17-3/h7-10,15,17H,4-6,11-13H2,1-3H3
InChIKeyFJWMMFNQRHWMTN-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.55
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-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492192
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211
N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54937325
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
CID 103032683
2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile
CID 65256837
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine (CID 61483273) is 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine is CCCCOCCOc1ccccc1C(CC)NC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine?
The InChIKey is FJWMMFNQRHWMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-6-11-18-12-13-19-16-10-8-7-9-14(16)15(5-2)17-3/h7-10,15,17H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine?
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 61483273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).