N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine

C15H16Cl2N2O — CID 114319172

IUPACN-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1ccncc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-2-18-8-12-13(16)4-3-5-15(12)20-10-11-6-7-19-9-14(11)17/h3-7,9,18H,2,8,10H2,1H3
InChIKeyDMZBLPMQHCNCCU-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.08
Rot. Bonds6

About N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine

N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 114319172) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
PubChem CID114319172
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1ccncc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-2-18-8-12-13(16)4-3-5-15(12)20-10-11-6-7-19-9-14(11)17/h3-7,9,18H,2,8,10H2,1H3
InChIKeyDMZBLPMQHCNCCU-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 114319763
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
N-[[4-[(3-chloro-4-pyridinyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686953
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107742115
N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
CID 114318984
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 107341776

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine (CID 114319172) is N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1OCc1ccncc1Cl.
What is the InChIKey of N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is DMZBLPMQHCNCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-2-18-8-12-13(16)4-3-5-15(12)20-10-11-6-7-19-9-14(11)17/h3-7,9,18H,2,8,10H2,1H3.
What are the key properties of N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine?
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 311.21 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 114319172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).