N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine

C18H31NO2 — CID 61483064

IUPACN-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
SMILESCCCCOCCOc1ccc(C)cc1C(C)NCCC
InChIInChI=1S/C18H31NO2/c1-5-7-11-20-12-13-21-18-9-8-15(3)14-17(18)16(4)19-10-6-2/h8-9,14,16,19H,5-7,10-13H2,1-4H3
InChIKeyVHQBNLFNRYEPDK-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.25
Rot. Bonds11

About N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine

N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine (PubChem CID 61483064) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
PubChem CID61483064
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
SMILESCCCCOCCOc1ccc(C)cc1C(C)NCCC
InChIInChI=1S/C18H31NO2/c1-5-7-11-20-12-13-21-18-9-8-15(3)14-17(18)16(4)19-10-6-2/h8-9,14,16,19H,5-7,10-13H2,1-4H3
InChIKeyVHQBNLFNRYEPDK-UHFFFAOYSA-N
XLogP4.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
CID 107006103
N-[1-(5-bromo-2-butoxyphenyl)ethyl]propan-1-amine
CID 63500692
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
CID 114471492
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60888079

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine (CID 61483064) is N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine is CCCCOCCOc1ccc(C)cc1C(C)NCCC.
What is the InChIKey of N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine?
The InChIKey is VHQBNLFNRYEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-7-11-20-12-13-21-18-9-8-15(3)14-17(18)16(4)19-10-6-2/h8-9,14,16,19H,5-7,10-13H2,1-4H3.
What are the key properties of N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine?
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 61483064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).