N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine

C15H19F2N — CID 82827774

IUPACN-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine
SMILESC/C(=C/CCNC1CC1)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2N/c1-10(4-3-9-18-12-6-7-12)14-13(16)8-5-11(2)15(14)17/h4-5,8,12,18H,3,6-7,9H2,1-2H3/b10-4-
InChIKeyUNXRRKMRVOMDLR-WMZJFQQLSA-N
MW251.32 g/mol
LogP3.82
Rot. Bonds5

About N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine

N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine (PubChem CID 82827774) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine
PubChem CID82827774
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC NameN-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine
SMILESC/C(=C/CCNC1CC1)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H19F2N/c1-10(4-3-9-18-12-6-7-12)14-13(16)8-5-11(2)15(14)17/h4-5,8,12,18H,3,6-7,9H2,1-2H3/b10-4-
InChIKeyUNXRRKMRVOMDLR-WMZJFQQLSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine (CID 82827774) is N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine is C/C(=C/CCNC1CC1)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine?
The InChIKey is UNXRRKMRVOMDLR-WMZJFQQLSA-N. The full InChI is InChI=1S/C15H19F2N/c1-10(4-3-9-18-12-6-7-12)14-13(16)8-5-11(2)15(14)17/h4-5,8,12,18H,3,6-7,9H2,1-2H3/b10-4-.
What are the key properties of N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine?
N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine has a molecular weight of 251.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 82827774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).