N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine

C17H20ClNO2 — CID 81151403

IUPACN-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(COC)c2)c(Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-3-19-11-13-7-8-17(16(18)10-13)21-15-6-4-5-14(9-15)12-20-2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyQJPWXRVWRBBGAM-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.39
Rot. Bonds7

About N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine

N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine (PubChem CID 81151403) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
PubChem CID81151403
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(COC)c2)c(Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-3-19-11-13-7-8-17(16(18)10-13)21-15-6-4-5-14(9-15)12-20-2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyQJPWXRVWRBBGAM-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54038698
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
CID 81152008
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine (CID 81151403) is N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine is CCNCc1ccc(Oc2cccc(COC)c2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine?
The InChIKey is QJPWXRVWRBBGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-19-11-13-7-8-17(16(18)10-13)21-15-6-4-5-14(9-15)12-20-2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine?
N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 81151403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).