1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine

C17H19ClFNO — CID 62669549

IUPAC1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(C)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C17H19ClFNO/c1-3-15(20)17(12-5-4-6-13(19)10-12)21-16-8-7-11(2)9-14(16)18/h4-10,15,17H,3,20H2,1-2H3
InChIKeyIOVVAXZSNUMOET-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.64
Rot. Bonds5

About 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine

1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine (PubChem CID 62669549) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
PubChem CID62669549
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(C)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C17H19ClFNO/c1-3-15(20)17(12-5-4-6-13(19)10-12)21-16-8-7-11(2)9-14(16)18/h4-10,15,17H,3,20H2,1-2H3
InChIKeyIOVVAXZSNUMOET-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
2-(2-chloro-4-methylphenoxy)pentan-3-amine
CID 62671098
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55020981
1-(3-fluorophenyl)-1-(4-methylsulfanylphenoxy)butan-2-amine
CID 63648836

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine (CID 62669549) is 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine is CCC(N)C(Oc1ccc(C)cc1Cl)c1cccc(F)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine?
The InChIKey is IOVVAXZSNUMOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-15(20)17(12-5-4-6-13(19)10-12)21-16-8-7-11(2)9-14(16)18/h4-10,15,17H,3,20H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine?
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 62669549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).