N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine

C18H20ClNO — CID 60888648

IUPACN-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1ccc2ccccc2c1OC/C=C/Cl
InChIInChI=1S/C18H20ClNO/c1-13(20-15-8-9-15)16-10-7-14-5-2-3-6-17(14)18(16)21-12-4-11-19/h2-7,10-11,13,15,20H,8-9,12H2,1H3/b11-4+
InChIKeyAEYLGUPENOVTAV-NYYWCZLTSA-N
MW301.82 g/mol
LogP4.78
Rot. Bonds6

About N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine

N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine (PubChem CID 60888648) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine
PubChem CID60888648
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1ccc2ccccc2c1OC/C=C/Cl
InChIInChI=1S/C18H20ClNO/c1-13(20-15-8-9-15)16-10-7-14-5-2-3-6-17(14)18(16)21-12-4-11-19/h2-7,10-11,13,15,20H,8-9,12H2,1H3/b11-4+
InChIKeyAEYLGUPENOVTAV-NYYWCZLTSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine (CID 60888648) is N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine is CC(NC1CC1)c1ccc2ccccc2c1OC/C=C/Cl.
What is the InChIKey of N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine?
The InChIKey is AEYLGUPENOVTAV-NYYWCZLTSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13(20-15-8-9-15)16-10-7-14-5-2-3-6-17(14)18(16)21-12-4-11-19/h2-7,10-11,13,15,20H,8-9,12H2,1H3/b11-4+.
What are the key properties of N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine?
N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine has a molecular weight of 301.82 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 60888648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).