1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine

C17H19ClFNO — CID 82718867

IUPAC1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Cl)c(F)c2)cc1C
InChIInChI=1S/C17H19ClFNO/c1-3-13(20)9-12-4-5-14(8-11(12)2)21-15-6-7-16(18)17(19)10-15/h4-8,10,13H,3,9,20H2,1-2H3
InChIKeyOGONBNYRRZSKSX-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.86
Rot. Bonds5

About 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine

1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine (PubChem CID 82718867) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
PubChem CID82718867
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Cl)c(F)c2)cc1C
InChIInChI=1S/C17H19ClFNO/c1-3-13(20)9-12-4-5-14(8-11(12)2)21-15-6-7-16(18)17(19)10-15/h4-8,10,13H,3,9,20H2,1-2H3
InChIKeyOGONBNYRRZSKSX-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763
2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine
CID 82727632
1-[3-(4-chloro-3-fluorophenoxy)phenyl]butan-2-amine
CID 82727397
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]butan-2-amine
CID 63815583
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756
(1S)-1-[5-(4-chloro-3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938051
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine (CID 82718867) is 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccc(Cl)c(F)c2)cc1C.
What is the InChIKey of 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine?
The InChIKey is OGONBNYRRZSKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-13(20)9-12-4-5-14(8-11(12)2)21-15-6-7-16(18)17(19)10-15/h4-8,10,13H,3,9,20H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine?
1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine is sourced from PubChem (CID 82718867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).