N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine

C15H21F2N — CID 81015413

IUPACN-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1cccc(F)c1F
InChIInChI=1S/C15H21F2N/c1-10(11(2)9-18-13-6-7-13)8-12-4-3-5-14(16)15(12)17/h3-5,10-11,13,18H,6-9H2,1-2H3
InChIKeyUIXNUWKDIYWPMV-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.53
Rot. Bonds6

About N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine

N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 81015413) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
PubChem CID81015413
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1cccc(F)c1F
InChIInChI=1S/C15H21F2N/c1-10(11(2)9-18-13-6-7-13)8-12-4-3-5-14(16)15(12)17/h3-5,10-11,13,18H,6-9H2,1-2H3
InChIKeyUIXNUWKDIYWPMV-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015086
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015745
N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 102858662
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
CID 114899173
1-(2,3-difluorophenyl)-2-methylpentan-3-amine
CID 63561895
2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528560
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine (CID 81015413) is N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine is CC(CNC1CC1)C(C)Cc1cccc(F)c1F.
What is the InChIKey of N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is UIXNUWKDIYWPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10(11(2)9-18-13-6-7-13)8-12-4-3-5-14(16)15(12)17/h3-5,10-11,13,18H,6-9H2,1-2H3.
What are the key properties of N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 253.34 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 N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81015413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).