[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine

C15H16ClNO2 — CID 62494201

IUPAC[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
SMILESCCOc1cccc(Oc2ccc(Cl)cc2CN)c1
InChIInChI=1S/C15H16ClNO2/c1-2-18-13-4-3-5-14(9-13)19-15-7-6-12(16)8-11(15)10-17/h3-9H,2,10,17H2,1H3
InChIKeyIGPTWLRKQSBXNT-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.99
Rot. Bonds5

About [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine

[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine (PubChem CID 62494201) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
PubChem CID62494201
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
SMILESCCOc1cccc(Oc2ccc(Cl)cc2CN)c1
InChIInChI=1S/C15H16ClNO2/c1-2-18-13-4-3-5-14(9-13)19-15-7-6-12(16)8-11(15)10-17/h3-9H,2,10,17H2,1H3
InChIKeyIGPTWLRKQSBXNT-UHFFFAOYSA-N
XLogP3.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63456890
2-[2-(3-ethoxyphenoxy)phenyl]ethanamine
CID 63804354
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
4-chloro-2-[(3-ethoxyphenoxy)methyl]aniline
CID 79583150
4-chloro-2-(3-ethoxyphenoxy)benzaldehyde
CID 114844906
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62493858
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
(2-ethoxy-5-phenoxyphenyl)methanamine
CID 82267172

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine (CID 62494201) is [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine is CCOc1cccc(Oc2ccc(Cl)cc2CN)c1.
What is the InChIKey of [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine?
The InChIKey is IGPTWLRKQSBXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-18-13-4-3-5-14(9-13)19-15-7-6-12(16)8-11(15)10-17/h3-9H,2,10,17H2,1H3.
What are the key properties of [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine?
[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine has a molecular weight of 277.75 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 62494201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).