1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine

C15H23F2NO — CID 105412474

IUPAC1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1cc(F)cc(F)c1)NCC
InChIInChI=1S/C15H23F2NO/c1-3-6-19-7-5-15(18-4-2)10-12-8-13(16)11-14(17)9-12/h8-9,11,15,18H,3-7,10H2,1-2H3
InChIKeyTZIGWSZVNMVMEJ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.30
Rot. Bonds9

About 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine

1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine (PubChem CID 105412474) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
PubChem CID105412474
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
SMILESCCCOCCC(Cc1cc(F)cc(F)c1)NCC
InChIInChI=1S/C15H23F2NO/c1-3-6-19-7-5-15(18-4-2)10-12-8-13(16)11-14(17)9-12/h8-9,11,15,18H,3-7,10H2,1-2H3
InChIKeyTZIGWSZVNMVMEJ-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.30
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-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 103149509
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propoxypropan-2-amine
CID 79709539
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565
1-(3,5-difluorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455261
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 105412463
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928394
1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105122233

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine (CID 105412474) is 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine is CCCOCCC(Cc1cc(F)cc(F)c1)NCC.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine?
The InChIKey is TZIGWSZVNMVMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-3-6-19-7-5-15(18-4-2)10-12-8-13(16)11-14(17)9-12/h8-9,11,15,18H,3-7,10H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine?
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine is sourced from PubChem (CID 105412474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).