2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine

C15H23F2N — CID 62516240

IUPAC2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2N/c1-4-12(10-18-9-11(2)3)8-13-6-5-7-14(16)15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyBLFLKLQCDYCKLT-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.78
Rot. Bonds7

About 2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine

2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine (PubChem CID 62516240) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
PubChem CID62516240
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)Cc1cccc(F)c1F
InChIInChI=1S/C15H23F2N/c1-4-12(10-18-9-11(2)3)8-13-6-5-7-14(16)15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyBLFLKLQCDYCKLT-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 114933374
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277
2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528560
N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024265
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
1-(2,3-difluorophenyl)-2-methylpentan-3-amine
CID 63561895
2-[(2,3-difluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151325
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine (CID 62516240) is 2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine is CCC(CNCC(C)C)Cc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is BLFLKLQCDYCKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-12(10-18-9-11(2)3)8-13-6-5-7-14(16)15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3.
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine?
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.78, 7 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-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62516240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).