N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine

C16H17Cl2NO — CID 63497555

IUPACN-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-10-12-5-3-4-6-13(12)11-20-14-7-8-15(17)16(18)9-14/h3-9,19H,2,10-11H2,1H3
InChIKeyAWDZXHCZIKBHAZ-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.68
Rot. Bonds6

About N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine

N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 63497555) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID63497555
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-10-12-5-3-4-6-13(12)11-20-14-7-8-15(17)16(18)9-14/h3-9,19H,2,10-11H2,1H3
InChIKeyAWDZXHCZIKBHAZ-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

2-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-ethylethanamine
CID 115464941
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452521
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
N-[[4-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 62290868
3-[[2-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484882
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450280
N-[[2-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 107660992
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine (CID 63497555) is N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is AWDZXHCZIKBHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-19-10-12-5-3-4-6-13(12)11-20-14-7-8-15(17)16(18)9-14/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[2-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine?
N-[[2-[(3,4-dichlorophenoxy)methyl]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-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 63497555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).