N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine

C15H17ClN2O — CID 65125152

IUPACN-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C15H17ClN2O/c1-2-17-9-13-5-8-15(18-10-13)19-11-12-3-6-14(16)7-4-12/h3-8,10,17H,2,9,11H2,1H3
InChIKeyRTQWXDMPNAGYEB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.42
Rot. Bonds6

About N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine

N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 65125152) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
PubChem CID65125152
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C15H17ClN2O/c1-2-17-9-13-5-8-15(18-10-13)19-11-12-3-6-14(16)7-4-12/h3-8,10,17H,2,9,11H2,1H3
InChIKeyRTQWXDMPNAGYEB-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-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 65125443
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038
N-[[6-[(3-methoxyphenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 62289135
N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742064
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 102985726

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (CID 65125152) is N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(OCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is RTQWXDMPNAGYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-17-9-13-5-8-15(18-10-13)19-11-12-3-6-14(16)7-4-12/h3-8,10,17H,2,9,11H2,1H3.
What are the key properties of N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
N-[[6-[(4-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-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 65125152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).