N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine

C15H17ClN2O — CID 65125486

IUPACN-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-2-17-10-13-6-4-8-18-15(13)19-11-12-5-3-7-14(16)9-12/h3-9,17H,2,10-11H2,1H3
InChIKeyCNUHCDDASNTUGA-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.42
Rot. Bonds6

About N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine

N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 65125486) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
PubChem CID65125486
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1OCc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-2-17-10-13-6-4-8-18-15(13)19-11-12-5-3-7-14(16)9-12/h3-9,17H,2,10-11H2,1H3
InChIKeyCNUHCDDASNTUGA-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831306
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125681
N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82832365
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111176633
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151507
N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
CID 66226371
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62323648

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (CID 65125486) is N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1OCc1cccc(Cl)c1.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is CNUHCDDASNTUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-17-10-13-6-4-8-18-15(13)19-11-12-5-3-7-14(16)9-12/h3-9,17H,2,10-11H2,1H3.
What are the key properties of N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 65125486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).