2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine

C17H20ClNO2 — CID 60905689

IUPAC2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCc1ccccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-2-20-16-9-5-7-13(10-11-19)17(16)21-12-14-6-3-4-8-15(14)18/h3-9H,2,10-12,19H2,1H3
InChIKeyNMCALXDUMKRVOP-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine

2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine (PubChem CID 60905689) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
PubChem CID60905689
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCc1ccccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-2-20-16-9-5-7-13(10-11-19)17(16)21-12-14-6-3-4-8-15(14)18/h3-9H,2,10-12,19H2,1H3
InChIKeyNMCALXDUMKRVOP-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17206090
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine
CID 17206158
2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
CID 65476906
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17206157
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol
CID 23590539

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine?
The IUPAC name of 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine (CID 60905689) is 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine is CCOc1cccc(CCN)c1OCc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine?
The InChIKey is NMCALXDUMKRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-2-20-16-9-5-7-13(10-11-19)17(16)21-12-14-6-3-4-8-15(14)18/h3-9H,2,10-12,19H2,1H3.
What are the key properties of 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine?
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine is sourced from PubChem (CID 60905689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).