1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine

C17H20ClNO — CID 43286020

IUPAC1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine
SMILESCCc1cc(Oc2ccccc2C(C)NC)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-4-13-11-14(9-10-16(13)18)20-17-8-6-5-7-15(17)12(2)19-3/h5-12,19H,4H2,1-3H3
InChIKeyOOLNONNFJPBSOH-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.98
Rot. Bonds5

About 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine

1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine (PubChem CID 43286020) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine
PubChem CID43286020
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine
SMILESCCc1cc(Oc2ccccc2C(C)NC)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-4-13-11-14(9-10-16(13)18)20-17-8-6-5-7-15(17)12(2)19-3/h5-12,19H,4H2,1-3H3
InChIKeyOOLNONNFJPBSOH-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
CID 103960549
1-[2-(3-chloro-4-nitrophenoxy)phenyl]-N-methylethanamine
CID 62111941
1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62337869
N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43285337
(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
CID 63532581
4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline
CID 63735170
1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
CID 43247772
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
CID 104707855
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone
CID 43247767

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine (CID 43286020) is 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine is CCc1cc(Oc2ccccc2C(C)NC)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine?
The InChIKey is OOLNONNFJPBSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-13-11-14(9-10-16(13)18)20-17-8-6-5-7-15(17)12(2)19-3/h5-12,19H,4H2,1-3H3.
What are the key properties of 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine?
1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43286020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).