4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine

C13H20ClNO2 — CID 55146669

IUPAC4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCOc1ccc(Cl)cc1C
InChIInChI=1S/C13H20ClNO2/c1-3-16-12(9-15)6-7-17-13-5-4-11(14)8-10(13)2/h4-5,8,12H,3,6-7,9,15H2,1-2H3
InChIKeySUXDPHCXOSFKGM-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.78
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine

4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine (PubChem CID 55146669) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine
PubChem CID55146669
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCOc1ccc(Cl)cc1C
InChIInChI=1S/C13H20ClNO2/c1-3-16-12(9-15)6-7-17-13-5-4-11(14)8-10(13)2/h4-5,8,12H,3,6-7,9,15H2,1-2H3
InChIKeySUXDPHCXOSFKGM-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methylphenoxy)-2-ethoxypropan-1-amine
CID 63069683
4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
CID 63071445
2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
CID 64854417
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine
CID 63071626
4-chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene
CID 2777433
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
CID 63071638

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine (CID 55146669) is 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine is CCOC(CN)CCOc1ccc(Cl)cc1C.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine?
The InChIKey is SUXDPHCXOSFKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-16-12(9-15)6-7-17-13-5-4-11(14)8-10(13)2/h4-5,8,12H,3,6-7,9,15H2,1-2H3.
What are the key properties of 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine?
4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine is sourced from PubChem (CID 55146669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).