N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine

C17H20ClNO — CID 43283090

IUPACN-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Oc1cc(C)cc(C)c1
InChIInChI=1S/C17H20ClNO/c1-4-19-11-15-16(18)6-5-7-17(15)20-14-9-12(2)8-13(3)10-14/h5-10,19H,4,11H2,1-3H3
InChIKeyNDLCUUWKJUDMRW-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.86
Rot. Bonds5

About N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine

N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine (PubChem CID 43283090) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
PubChem CID43283090
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Oc1cc(C)cc(C)c1
InChIInChI=1S/C17H20ClNO/c1-4-19-11-15-16(18)6-5-7-17(15)20-14-9-12(2)8-13(3)10-14/h5-10,19H,4,11H2,1-3H3
InChIKeyNDLCUUWKJUDMRW-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282754
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 116689563
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]ethanamine
CID 63552227
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-chloro-6-(2-ethylphenoxy)phenyl]methyl]ethanamine
CID 43283802
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[[2-chloro-6-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169925
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine (CID 43283090) is N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1Oc1cc(C)cc(C)c1.
What is the InChIKey of N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is NDLCUUWKJUDMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-19-11-15-16(18)6-5-7-17(15)20-14-9-12(2)8-13(3)10-14/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43283090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).