N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine

C16H17Cl2NO — CID 114856304

IUPACN-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Oc1cc(C)ccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-19-10-12-9-13(17)5-7-15(12)20-16-8-11(2)4-6-14(16)18/h4-9,19H,3,10H2,1-2H3
InChIKeyBZQWSAXBWDQFND-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.20
Rot. Bonds5

About N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine

N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine (PubChem CID 114856304) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
PubChem CID114856304
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Oc1cc(C)ccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-3-19-10-12-9-13(17)5-7-15(12)20-16-8-11(2)4-6-14(16)18/h4-9,19H,3,10H2,1-2H3
InChIKeyBZQWSAXBWDQFND-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 114855893
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857685
N-[[2-(2-chloro-5-methylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314367
N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 105407022
N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
CID 43283829
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 114857168
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)phenyl]methyl]propan-2-amine
CID 114857479
N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 107879464
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine (CID 114856304) is N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1Oc1cc(C)ccc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is BZQWSAXBWDQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-19-10-12-9-13(17)5-7-15(12)20-16-8-11(2)4-6-14(16)18/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine?
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 310.22 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114856304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).