1-(3,4-difluorophenyl)-N-ethyloctan-2-amine

C16H25F2N — CID 114753007

IUPAC1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
SMILESCCCCCCC(Cc1ccc(F)c(F)c1)NCC
InChIInChI=1S/C16H25F2N/c1-3-5-6-7-8-14(19-4-2)11-13-9-10-15(17)16(18)12-13/h9-10,12,14,19H,3-8,11H2,1-2H3
InChIKeyPKSRJFNGXMTOEE-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.46
Rot. Bonds9

About 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine

1-(3,4-difluorophenyl)-N-ethyloctan-2-amine (PubChem CID 114753007) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
PubChem CID114753007
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
SMILESCCCCCCC(Cc1ccc(F)c(F)c1)NCC
InChIInChI=1S/C16H25F2N/c1-3-5-6-7-8-14(19-4-2)11-13-9-10-15(17)16(18)12-13/h9-10,12,14,19H,3-8,11H2,1-2H3
InChIKeyPKSRJFNGXMTOEE-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
1-(3,4-difluorophenyl)octan-2-ylhydrazine
CID 105294121
1-(3,4-difluorophenyl)heptan-2-ylhydrazine
CID 105294767
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115849967
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
CID 107012123
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine (CID 114753007) is 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine is CCCCCCC(Cc1ccc(F)c(F)c1)NCC.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine?
The InChIKey is PKSRJFNGXMTOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-3-5-6-7-8-14(19-4-2)11-13-9-10-15(17)16(18)12-13/h9-10,12,14,19H,3-8,11H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine?
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethyloctan-2-amine is sourced from PubChem (CID 114753007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).