N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine

C18H20N2O — CID 81254935

IUPACN-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESC/C=C/c1ccccc1Oc1ccncc1CNC1CC1
InChIInChI=1S/C18H20N2O/c1-2-5-14-6-3-4-7-17(14)21-18-10-11-19-12-15(18)13-20-16-8-9-16/h2-7,10-12,16,20H,8-9,13H2,1H3/b5-2+
InChIKeyNCIMHIIFRIZYQA-GORDUTHDSA-N
MW280.37 g/mol
LogP4.16
Rot. Bonds6

About N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine

N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81254935) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81254935
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESC/C=C/c1ccccc1Oc1ccncc1CNC1CC1
InChIInChI=1S/C18H20N2O/c1-2-5-14-6-3-4-7-17(14)21-18-10-11-19-12-15(18)13-20-16-8-9-16/h2-7,10-12,16,20H,8-9,13H2,1H3/b5-2+
InChIKeyNCIMHIIFRIZYQA-GORDUTHDSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine (CID 81254935) is N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine is C/C=C/c1ccccc1Oc1ccncc1CNC1CC1.
What is the InChIKey of N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is NCIMHIIFRIZYQA-GORDUTHDSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-5-14-6-3-4-7-17(14)21-18-10-11-19-12-15(18)13-20-16-8-9-16/h2-7,10-12,16,20H,8-9,13H2,1H3/b5-2+.
What are the key properties of N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 280.37 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(E)-prop-1-enyl]phenoxy]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81254935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).