N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine

C19H18F2N2 — CID 144929383

IUPACN-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine
SMILES[H]/N=C(\C(=C)NC1CC1)c1cc(-c2cccc(F)c2F)ccc1C
InChIInChI=1S/C19H18F2N2/c1-11-6-7-13(15-4-3-5-17(20)18(15)21)10-16(11)19(22)12(2)23-14-8-9-14/h3-7,10,14,22-23H,2,8-9H2,1H3/b22-19+
InChIKeyGLNBOJIRGWLCTB-ZBJSNUHESA-N
MW312.36 g/mol
LogP4.57
Rot. Bonds5

About N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine

N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine (PubChem CID 144929383) has the molecular formula C19H18F2N2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine
PubChem CID144929383
Molecular FormulaC19H18F2N2
Molecular Weight312.36 g/mol
Exact Mass312.14
IUPAC NameN-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine
SMILES[H]/N=C(\C(=C)NC1CC1)c1cc(-c2cccc(F)c2F)ccc1C
InChIInChI=1S/C19H18F2N2/c1-11-6-7-13(15-4-3-5-17(20)18(15)21)10-16(11)19(22)12(2)23-14-8-9-14/h3-7,10,14,22-23H,2,8-9H2,1H3/b22-19+
InChIKeyGLNBOJIRGWLCTB-ZBJSNUHESA-N
XLogP4.57
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine (CID 144929383) is N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine is [H]/N=C(\C(=C)NC1CC1)c1cc(-c2cccc(F)c2F)ccc1C.
What is the InChIKey of N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine?
The InChIKey is GLNBOJIRGWLCTB-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H18F2N2/c1-11-6-7-13(15-4-3-5-17(20)18(15)21)10-16(11)19(22)12(2)23-14-8-9-14/h3-7,10,14,22-23H,2,8-9H2,1H3/b22-19+.
What are the key properties of N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine?
N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine has a molecular weight of 312.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,3-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]cyclopropanamine is sourced from PubChem (CID 144929383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).