N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine

C15H23F2N — CID 115325076

IUPACN-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C15H23F2N/c1-11(2)6-4-5-9-18-12(3)14-10-13(16)7-8-15(14)17/h7-8,10-12,18H,4-6,9H2,1-3H3
InChIKeyBDNNOCOUWTVIRG-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.44
Rot. Bonds7

About N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine

N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine (PubChem CID 115325076) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
PubChem CID115325076
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C15H23F2N/c1-11(2)6-4-5-9-18-12(3)14-10-13(16)7-8-15(14)17/h7-8,10-12,18H,4-6,9H2,1-3H3
InChIKeyBDNNOCOUWTVIRG-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

Computed Properties (RDKit)

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

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Related Compounds

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CID 82962730
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N-[1-(2,5-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
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CID 115720905
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
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3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
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CID 54893307
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine (CID 115325076) is N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine is CC(C)CCCCNC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine?
The InChIKey is BDNNOCOUWTVIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-11(2)6-4-5-9-18-12(3)14-10-13(16)7-8-15(14)17/h7-8,10-12,18H,4-6,9H2,1-3H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine?
N-[1-(2,5-difluorophenyl)ethyl]-5-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 N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine is sourced from PubChem (CID 115325076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).