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

C17H20ClNO2 — CID 43646629

IUPACN-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCc1cc(Cl)ccc1OC
InChIInChI=1S/C17H20ClNO2/c1-3-19-11-13-6-4-5-7-17(13)21-12-14-10-15(18)8-9-16(14)20-2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyNGWDVOHYTUQDBB-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.04
Rot. Bonds7

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

N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 43646629) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID43646629
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCc1cc(Cl)ccc1OC
InChIInChI=1S/C17H20ClNO2/c1-3-19-11-13-6-4-5-7-17(13)21-12-14-10-15(18)8-9-16(14)20-2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyNGWDVOHYTUQDBB-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

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
N-[[5-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782260
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
N-[[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952900
N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 106861648
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine (CID 43646629) is N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCc1cc(Cl)ccc1OC.
What is the InChIKey of N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is NGWDVOHYTUQDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-19-11-13-6-4-5-7-17(13)21-12-14-10-15(18)8-9-16(14)20-2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine?
N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]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-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 43646629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).