1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine

C18H22ClNO — CID 115995719

IUPAC1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1Oc1cc(Cl)ccc1C
InChIInChI=1S/C18H22ClNO/c1-4-16(20-5-2)15-8-6-7-9-17(15)21-18-12-14(19)11-10-13(18)3/h6-12,16,20H,4-5H2,1-3H3
InChIKeyYVBSTKJIAKYCHD-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.50
Rot. Bonds6

About 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine

1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine (PubChem CID 115995719) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine
PubChem CID115995719
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1Oc1cc(Cl)ccc1C
InChIInChI=1S/C18H22ClNO/c1-4-16(20-5-2)15-8-6-7-9-17(15)21-18-12-14(19)11-10-13(18)3/h6-12,16,20H,4-5H2,1-3H3
InChIKeyYVBSTKJIAKYCHD-UHFFFAOYSA-N
XLogP5.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
CID 112679140
1-[2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylpropan-1-amine
CID 116689296
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine
CID 115995484
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103943680
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
CID 115995754
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine (CID 115995719) is 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccccc1Oc1cc(Cl)ccc1C.
What is the InChIKey of 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine?
The InChIKey is YVBSTKJIAKYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-16(20-5-2)15-8-6-7-9-17(15)21-18-12-14(19)11-10-13(18)3/h6-12,16,20H,4-5H2,1-3H3.
What are the key properties of 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine?
1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 115995719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).