N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

C17H20N2O — CID 62296410

IUPACN-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCc1ccc(Oc2ncccc2CNC2CC2)cc1
InChIInChI=1S/C17H20N2O/c1-2-13-5-9-16(10-6-13)20-17-14(4-3-11-18-17)12-19-15-7-8-15/h3-6,9-11,15,19H,2,7-8,12H2,1H3
InChIKeyPMAMRTDQRIRDEA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.69
Rot. Bonds6

About N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62296410) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62296410
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCc1ccc(Oc2ncccc2CNC2CC2)cc1
InChIInChI=1S/C17H20N2O/c1-2-13-5-9-16(10-6-13)20-17-14(4-3-11-18-17)12-19-15-7-8-15/h3-6,9-11,15,19H,2,7-8,12H2,1H3
InChIKeyPMAMRTDQRIRDEA-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297749
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 63984255
N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62298280
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 42518073
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
CID 42522770

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 62296410) is N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is CCc1ccc(Oc2ncccc2CNC2CC2)cc1.
What is the InChIKey of N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is PMAMRTDQRIRDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13-5-9-16(10-6-13)20-17-14(4-3-11-18-17)12-19-15-7-8-15/h3-6,9-11,15,19H,2,7-8,12H2,1H3.
What are the key properties of N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62296410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).