1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine

C18H22ClNO — CID 63460298

IUPAC1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cc(C)ccc1Cl)c1cccc(C)c1
InChIInChI=1S/C18H22ClNO/c1-4-16(20)18(14-7-5-6-12(2)10-14)21-17-11-13(3)8-9-15(17)19/h5-11,16,18H,4,20H2,1-3H3
InChIKeyWBKOKJORXQZDTG-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.81
Rot. Bonds5

About 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine

1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine (PubChem CID 63460298) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
PubChem CID63460298
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1cc(C)ccc1Cl)c1cccc(C)c1
InChIInChI=1S/C18H22ClNO/c1-4-16(20)18(14-7-5-6-12(2)10-14)21-17-11-13(3)8-9-15(17)19/h5-11,16,18H,4,20H2,1-3H3
InChIKeyWBKOKJORXQZDTG-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
2-(2-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020668
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline
CID 61262210
1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine (CID 63460298) is 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine is CCC(N)C(Oc1cc(C)ccc1Cl)c1cccc(C)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
The InChIKey is WBKOKJORXQZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-16(20)18(14-7-5-6-12(2)10-14)21-17-11-13(3)8-9-15(17)19/h5-11,16,18H,4,20H2,1-3H3.
What are the key properties of 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 63460298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).