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

C14H21F2N — CID 81016553

IUPAC4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)C(C)Cc1cc(F)ccc1F
InChIInChI=1S/C14H21F2N/c1-4-17-9-11(3)10(2)7-12-8-13(15)5-6-14(12)16/h5-6,8,10-11,17H,4,7,9H2,1-3H3
InChIKeyMXWNCTDMBMGPJN-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.39
Rot. Bonds6

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

4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 81016553) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID81016553
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)C(C)Cc1cc(F)ccc1F
InChIInChI=1S/C14H21F2N/c1-4-17-9-11(3)10(2)7-12-8-13(15)5-6-14(12)16/h5-6,8,10-11,17H,4,7,9H2,1-3H3
InChIKeyMXWNCTDMBMGPJN-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015367
2-(3-chloro-2-methylpentyl)-1,4-difluorobenzene
CID 63559937
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-(3-bromo-2-methylpentyl)-1,4-difluorobenzene
CID 63560139
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114348792
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966818
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
2-[(2,5-difluorophenyl)methyl]butanal
CID 83831494

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine (CID 81016553) is 4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)C(C)Cc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is MXWNCTDMBMGPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-17-9-11(3)10(2)7-12-8-13(15)5-6-14(12)16/h5-6,8,10-11,17H,4,7,9H2,1-3H3.
What are the key properties of 4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 81016553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).