N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine

C15H15ClN2O — CID 64600037

IUPACN-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
SMILESClc1cncc(Oc2ccccc2CNC2CC2)c1
InChIInChI=1S/C15H15ClN2O/c16-12-7-14(10-17-9-12)19-15-4-2-1-3-11(15)8-18-13-5-6-13/h1-4,7,9-10,13,18H,5-6,8H2
InChIKeyTXRRZKLHDDXPNJ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.78
Rot. Bonds5

About N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine

N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine (PubChem CID 64600037) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
PubChem CID64600037
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
SMILESClc1cncc(Oc2ccccc2CNC2CC2)c1
InChIInChI=1S/C15H15ClN2O/c16-12-7-14(10-17-9-12)19-15-4-2-1-3-11(15)8-18-13-5-6-13/h1-4,7,9-10,13,18H,5-6,8H2
InChIKeyTXRRZKLHDDXPNJ-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857443
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 64601004
2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
CID 21078394
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391527
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]cyclopropanamine
CID 43283536
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 65201369
N-[[2-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 64602366
N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283592
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine (CID 64600037) is N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine is Clc1cncc(Oc2ccccc2CNC2CC2)c1.
What is the InChIKey of N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The InChIKey is TXRRZKLHDDXPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-12-7-14(10-17-9-12)19-15-4-2-1-3-11(15)8-18-13-5-6-13/h1-4,7,9-10,13,18H,5-6,8H2.
What are the key properties of N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine has a molecular weight of 274.75 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 64600037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).