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

C16H17Cl2NO — CID 114319059

IUPACN-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-10-14-15(18)4-3-5-16(14)20-11-12-6-8-13(17)9-7-12/h3-9,19H,2,10-11H2,1H3
InChIKeyAFPXUFOBIYNFNB-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.68
Rot. Bonds6

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

N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 114319059) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID114319059
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-10-14-15(18)4-3-5-16(14)20-11-12-6-8-13(17)9-7-12/h3-9,19H,2,10-11H2,1H3
InChIKeyAFPXUFOBIYNFNB-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
CID 114318984
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine
CID 114319001
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine (CID 114319059) is N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is AFPXUFOBIYNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-19-10-14-15(18)4-3-5-16(14)20-11-12-6-8-13(17)9-7-12/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 114319059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).