N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine

C17H20N2O — CID 62291950

IUPACN-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(Oc1ncccc1CNC1CC1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(14-6-3-2-4-7-14)20-17-15(8-5-11-18-17)12-19-16-9-10-16/h2-8,11,13,16,19H,9-10,12H2,1H3
InChIKeyUSGRCWQMFPTQGG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.47
Rot. Bonds6

About N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62291950) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62291950
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(Oc1ncccc1CNC1CC1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(14-6-3-2-4-7-14)20-17-15(8-5-11-18-17)12-19-16-9-10-16/h2-8,11,13,16,19H,9-10,12H2,1H3
InChIKeyUSGRCWQMFPTQGG-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79741488
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 115953564
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 82831614
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cyclopentan-1-ol
CID 61374613
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 62291950) is N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine is CC(Oc1ncccc1CNC1CC1)c1ccccc1.
What is the InChIKey of N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is USGRCWQMFPTQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(14-6-3-2-4-7-14)20-17-15(8-5-11-18-17)12-19-16-9-10-16/h2-8,11,13,16,19H,9-10,12H2,1H3.
What are the key properties of N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62291950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).