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

C17H20ClNO — CID 114319014

IUPACN-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1ccccc1C
InChIInChI=1S/C17H20ClNO/c1-3-19-11-15-16(18)9-6-10-17(15)20-12-14-8-5-4-7-13(14)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyITFNUINMYYBIHY-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.34
Rot. Bonds6

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

N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 114319014) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID114319014
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1ccccc1C
InChIInChI=1S/C17H20ClNO/c1-3-19-11-15-16(18)9-6-10-17(15)20-12-14-8-5-4-7-13(14)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyITFNUINMYYBIHY-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
N-[[2-chloro-6-(2-ethylphenoxy)phenyl]methyl]ethanamine
CID 43283802
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
CID 114318984
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
CID 43283090

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine (CID 114319014) is N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1OCc1ccccc1C.
What is the InChIKey of N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is ITFNUINMYYBIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-19-11-15-16(18)9-6-10-17(15)20-12-14-8-5-4-7-13(14)2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine?
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.34, 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-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 114319014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).