N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine

C15H15ClN2O — CID 62295902

IUPACN-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESClc1ccccc1Oc1ccnc(CNC2CC2)c1
InChIInChI=1S/C15H15ClN2O/c16-14-3-1-2-4-15(14)19-13-7-8-17-12(9-13)10-18-11-5-6-11/h1-4,7-9,11,18H,5-6,10H2
InChIKeyFMTYSAAKICLBAS-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.78
Rot. Bonds5

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

N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62295902) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62295902
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESClc1ccccc1Oc1ccnc(CNC2CC2)c1
InChIInChI=1S/C15H15ClN2O/c16-14-3-1-2-4-15(14)19-13-7-8-17-12(9-13)10-18-11-5-6-11/h1-4,7-9,11,18H,5-6,10H2
InChIKeyFMTYSAAKICLBAS-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-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295755
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
N-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 107726012
N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 114157961
N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102723120
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118
N-[[4-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82791835
1-[4-(2,5-dichlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298312
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62295902) is N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine is Clc1ccccc1Oc1ccnc(CNC2CC2)c1.
What is the InChIKey of N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is FMTYSAAKICLBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-14-3-1-2-4-15(14)19-13-7-8-17-12(9-13)10-18-11-5-6-11/h1-4,7-9,11,18H,5-6,10H2.
What are the key properties of N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(2-chlorophenoxy)-2-pyridinyl]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-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62295902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).