N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine

C15H17ClN2O2 — CID 64601067

IUPACN-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1COc1cncc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c1-10-11(4-15(20-10)8-18-13-2-3-13)9-19-14-5-12(16)6-17-7-14/h4-7,13,18H,2-3,8-9H2,1H3
InChIKeyULNQSEZCHZNUQS-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.47
Rot. Bonds6

About N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine

N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 64601067) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID64601067
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1COc1cncc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c1-10-11(4-15(20-10)8-18-13-2-3-13)9-19-14-5-12(16)6-17-7-14/h4-7,13,18H,2-3,8-9H2,1H3
InChIKeyULNQSEZCHZNUQS-UHFFFAOYSA-N
XLogP3.47
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (CID 64601067) is N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is Cc1oc(CNC2CC2)cc1COc1cncc(Cl)c1.
What is the InChIKey of N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is ULNQSEZCHZNUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-11(4-15(20-10)8-18-13-2-3-13)9-19-14-5-12(16)6-17-7-14/h4-7,13,18H,2-3,8-9H2,1H3.
What are the key properties of N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 292.77 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64601067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).