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

C14H21F2N — CID 105409747

IUPAC5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2N/c1-4-17-11(3)5-10(2)6-12-7-13(15)9-14(16)8-12/h7-11,17H,4-6H2,1-3H3
InChIKeyWFKPUSIMCCDJAD-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.53
Rot. Bonds6

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

5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 105409747) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine
PubChem CID105409747
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2N/c1-4-17-11(3)5-10(2)6-12-7-13(15)9-14(16)8-12/h7-11,17H,4-6H2,1-3H3
InChIKeyWFKPUSIMCCDJAD-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64666039
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412597
1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 105412463
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide
CID 145176133
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 105406535
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine (CID 105409747) is 5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine is CCNC(C)CC(C)Cc1cc(F)cc(F)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is WFKPUSIMCCDJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-17-11(3)5-10(2)6-12-7-13(15)9-14(16)8-12/h7-11,17H,4-6H2,1-3H3.
What are the key properties of 5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine?
5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 105409747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).