N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine

C14H15ClN2O2 — CID 114927604

IUPACN-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESClc1cnc(OCc2ccco2)cc1CNC1CC1
InChIInChI=1S/C14H15ClN2O2/c15-13-8-17-14(19-9-12-2-1-5-18-12)6-10(13)7-16-11-3-4-11/h1-2,5-6,8,11,16H,3-4,7,9H2
InChIKeyPIBMLQTUFBUVCE-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.16
Rot. Bonds6

About N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 114927604) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID114927604
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESClc1cnc(OCc2ccco2)cc1CNC1CC1
InChIInChI=1S/C14H15ClN2O2/c15-13-8-17-14(19-9-12-2-1-5-18-12)6-10(13)7-16-11-3-4-11/h1-2,5-6,8,11,16H,3-4,7,9H2
InChIKeyPIBMLQTUFBUVCE-UHFFFAOYSA-N
XLogP3.16
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928565
5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 114925517
N-[[3-fluoro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105390784
N-[[5-chloro-2-(3-methylbutan-2-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928915
N-[[5-(furan-2-ylmethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446362
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114927655
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 114929049
N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114929107
N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
CID 107381343
1-[5-chloro-2-[(2-chlorophenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 114927670
N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381360

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 114927604) is N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine is Clc1cnc(OCc2ccco2)cc1CNC1CC1.
What is the InChIKey of N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is PIBMLQTUFBUVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-13-8-17-14(19-9-12-2-1-5-18-12)6-10(13)7-16-11-3-4-11/h1-2,5-6,8,11,16H,3-4,7,9H2.
What are the key properties of N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 278.74 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114927604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).