1-(2-butoxy-5-methylphenyl)-N-ethylethanamine

C15H25NO — CID 43505150

IUPAC1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
SMILESCCCCOc1ccc(C)cc1C(C)NCC
InChIInChI=1S/C15H25NO/c1-5-7-10-17-15-9-8-12(3)11-14(15)13(4)16-6-2/h8-9,11,13,16H,5-7,10H2,1-4H3
InChIKeyKUSVHWDVPJQSTM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.84
Rot. Bonds7

About 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine

1-(2-butoxy-5-methylphenyl)-N-ethylethanamine (PubChem CID 43505150) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
PubChem CID43505150
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
SMILESCCCCOc1ccc(C)cc1C(C)NCC
InChIInChI=1S/C15H25NO/c1-5-7-10-17-15-9-8-12(3)11-14(15)13(4)16-6-2/h8-9,11,13,16H,5-7,10H2,1-4H3
InChIKeyKUSVHWDVPJQSTM-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.84
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

N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine
CID 63499914
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
CID 79167893
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine (CID 43505150) is 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine is CCCCOc1ccc(C)cc1C(C)NCC.
What is the InChIKey of 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine?
The InChIKey is KUSVHWDVPJQSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-7-10-17-15-9-8-12(3)11-14(15)13(4)16-6-2/h8-9,11,13,16H,5-7,10H2,1-4H3.
What are the key properties of 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine?
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxy-5-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 43505150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).