2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine

C14H21F2N — CID 62528560

IUPAC2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Cc1cccc(F)c1F)C(C)C
InChIInChI=1S/C14H21F2N/c1-4-17-9-12(10(2)3)8-11-6-5-7-13(15)14(11)16/h5-7,10,12,17H,4,8-9H2,1-3H3
InChIKeyVPEYFRQENZJEEQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.39
Rot. Bonds6

About 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine

2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine (PubChem CID 62528560) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
PubChem CID62528560
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(Cc1cccc(F)c1F)C(C)C
InChIInChI=1S/C14H21F2N/c1-4-17-9-12(10(2)3)8-11-6-5-7-13(15)14(11)16/h5-7,10,12,17H,4,8-9H2,1-3H3
InChIKeyVPEYFRQENZJEEQ-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

2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 102858672
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350
2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277
N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114348792
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
3-(2,3-difluorophenyl)-2-(1,1-dioxothiolan-3-yl)-N-ethylpropan-1-amine
CID 62529044
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015413

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine (CID 62528560) is 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine is CCNCC(Cc1cccc(F)c1F)C(C)C.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is VPEYFRQENZJEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-17-9-12(10(2)3)8-11-6-5-7-13(15)14(11)16/h5-7,10,12,17H,4,8-9H2,1-3H3.
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine?
2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-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 2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 62528560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).