N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine

C17H20ClNO2 — CID 60878145

IUPACN-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCc1ccccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-3-19-11-14-10-15(20-2)8-9-17(14)21-12-13-6-4-5-7-16(13)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyLXMHJCHOEDWNBE-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.04
Rot. Bonds7

About N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine

N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine (PubChem CID 60878145) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
PubChem CID60878145
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCc1ccccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-3-19-11-14-10-15(20-2)8-9-17(14)21-12-13-6-4-5-7-16(13)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyLXMHJCHOEDWNBE-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 4716490
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724119
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 43646629
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 106861648
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine (CID 60878145) is N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine is CCNCc1cc(OC)ccc1OCc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine?
The InChIKey is LXMHJCHOEDWNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-19-11-14-10-15(20-2)8-9-17(14)21-12-13-6-4-5-7-16(13)18/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine?
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 60878145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).