1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine

C15H23F2N — CID 63413122

IUPAC1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2N/c1-4-6-11(3)9-15(18-5-2)12-7-8-13(16)14(17)10-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyYMPFZBMEQSZXSO-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.44
Rot. Bonds7

About 1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine

1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine (PubChem CID 63413122) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
PubChem CID63413122
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2N/c1-4-6-11(3)9-15(18-5-2)12-7-8-13(16)14(17)10-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyYMPFZBMEQSZXSO-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3,4-difluorophenyl)-3-methylhexyl]hydrazine
CID 105197095
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
1-(4-bromo-3-fluorophenyl)-N,3-dimethylhexan-1-amine
CID 115845296
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine
CID 105264096
N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
CID 115845454
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845535
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
CID 64719429
[1-(3-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298243

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine (CID 63413122) is 1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine is CCCC(C)CC(NCC)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine?
The InChIKey is YMPFZBMEQSZXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-6-11(3)9-15(18-5-2)12-7-8-13(16)14(17)10-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine?
1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.44, 7 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-ethyl-3-methylhexan-1-amine is sourced from PubChem (CID 63413122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).